2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoic Acid

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2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoic Acid

UUID fe0acd60-3ddc-11dd-b0fc-0050c2490048

Flow Object ID fo-98de0bcfc07f6c08

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 37087-94-8

EC Numbers 253-344-0

prefLabel

Language	Value	Provenance
`en`	`2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoic Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`<em>rel</em>-2-Chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid`
`en`	`Benzoic acid, 2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-, <em>cis</em>-`
`en`	`Benzoic acid, 2-chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]-, <em>rel</em>-`
`en`	`CP 18524`
`en`	`Tibric acid`

References

Shared Properties

Predicate	Value
InChIKey	`IFXSWTIWFGIXQO-AOOOYVTPSA-N, IFXSWTIWFGIXQO-UHFFFAOYSA-N`
InChI	`InChI=1S/C14H18ClNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)11-3-4-13(15)12(6-11)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18), InChI=1S/C14H18ClNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)11-3-4-13(15)12(6-11)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)/t9-,10+`
IUPAC name	2-chloranyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzoic acid, 2-chloranyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoic acid, 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid, 2-chloro-5-(3,5-dimethylpiperidino)sulfonyl-benzoic acid, 2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid, 2-chloro-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoic acid, 2-chloro-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid, 2-chloro-5-[(3R,5S)-3,5-dimethylpiperidino]sulfonyl-benzoic acid, 2-chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid, 2-chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic acid
Molecular formula	`C14H18ClNO4S`
SMILES	`CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C, C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fe0acd60-3ddc-11dd-b0fc-0050c2490048`	2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoic acid	Emissions/Emissions to water/Emissions to sea water	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=37087-94-8; added Common Chemistry CAS names as altLabel: <em>rel</em>-2-Chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid, Benzoic acid, 2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-, <em>cis</em>-, Benzoic acid, 2-chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]-, <em>rel</em>-, CP 18524, Tibric acid; object_uuid=fo-98de0bcfc07f6c08
`cas_match_labels`	1	`—`	consensus_match	group_key=2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'37087-94-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-98de0bcfc07f6c08: {'37087-94-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '<em>rel</em>-2-Chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:37087-94-8', 'https://commonchemistry.cas.org/detail?cas_rn=37087-94-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-, <em>cis</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:37087-94-8', 'https://commonchemistry.cas.org/detail?cas_rn=37087-94-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 2-chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]-, <em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:37087-94-8', 'https://commonchemistry.cas.org/detail?cas_rn=37087-94-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CP 18524', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:37087-94-8', 'https://commonchemistry.cas.org/detail?cas_rn=37087-94-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tibric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:37087-94-8', 'https://commonchemistry.cas.org/detail?cas_rn=37087-94-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=37087-94-8; added Common Chemistry CAS names as altLabel: <em>rel</em>-2-Chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid, Benzoic acid, 2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-, <em>cis</em>-, Benzoic acid, 2-chloro-5-[[(3<em>R</em>,5<em>S</em>)-3,5-dimethyl-1-piperidinyl]sulfonyl]-, <em>rel</em>-, CP 18524, Tibric acid; object_uuid=fo-98de0bcfc07f6c08
`cas_match_labels`	`None`	`{'37087-94-8': 'exactMatch'}`	group_key=2-chloro-5-(3,5-dimethylpiperidino-sulfonyl)benzoicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'37087-94-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-98de0bcfc07f6c08: {'37087-94-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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