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P-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolyl)ethyl]benzenesulphonamide

UUID 077be1ac-f3d6-4154-8291-7827cb06d745
Deprecated yes
Replaced By fbbcec23-c279-4c52-ba51-ceb170525d37
Flow Object IDfo-454eb74a69ae2fe8
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 33456-68-7
EC Numbers 251-529-0
prefLabel
Language Value Provenance
en P-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolyl)ethyl]benzenesulphonamide
altLabel ⓘ
Language Value Provenance
en 4-[2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1<em>H</em>)-isoquinolinyl)ethyl]benzenesulfonamide
en Benzenesulfonamide, 4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1<em>H</em>)-isoquinolinyl)ethyl]-
en Benzenesulfonamide, <em>p</em>-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1<em>H</em>)-isoquinolyl)ethyl]-
References
Shared Properties
Predicate Value
InChIKey KYJOFNFLQSJNHO-UHFFFAOYSA-N, YJHGEYXLMLMFCF-UHFFFAOYSA-N
InChI InChI=1S/C11H20OS/c1-8(2)9-5-6-11(3,13-4)7-10(9)12/h8-9H,5-7H2,1-4H3, InChI=1S/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
IUPAC name 2-isopropyl-5-methyl-5-(methylthio)cyclohexanone, 2-isopropyl-5-methyl-5-methylsulfanyl-cyclohexanone, 4-[2-(1,3-diketo-7-methoxy-4,4-dimethyl-2-isoquinolyl)ethyl]benzenesulfonamide, 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]benzenesulfonamide, 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolyl)ethyl]benzenesulfonamide, 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzenesulfonamide, 4-[2-[7-methoxy-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethyl]benzenesulfonamide, 5-methyl-5-(methylthio)-2-propan-2-yl-1-cyclohexanone, 5-methyl-5-methylsulfanyl-2-propan-2-yl-cyclohexan-1-one, 5-methyl-5-methylsulfanyl-2-propan-2-ylcyclohexan-1-one
Molecular formula C11H20OS, C20H22N2O5S
SMILES CC(C)C1CCC(CC1=O)(C)SC, CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)N)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 077be1ac-f3d6-4154-8291-7827cb06d745 p-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolyl)ethyl]benzenesulphonamide

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=p-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolyl)ethyl]benzenesulphonamide||dimension=Environmental > media=Water > water_body=Unknown; cas=33456-68-7; added Common Chemistry CAS names as altLabel: 4-[2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1<em>H</em>)-isoquinolinyl)ethyl]benzenesulfonamide, Benzenesulfonamide, 4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1<em>H</em>)-isoquinolinyl)ethyl]-, Benzenesulfonamide, <em>p</em>-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1<em>H</em>)-isoquinolyl)ethyl]-; object_uuid=fo-454eb74a69ae2fe8
cas_match_labels 1 — consensus_match group_key=p-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolyl)ethyl]benzenesulphonamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'33456-68-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-454eb74a69ae2fe8: {'33456-68-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'33456-68-7': 'exactMatch'} group_key=p-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolyl)ethyl]benzenesulphonamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'33456-68-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-454eb74a69ae2fe8: {'33456-68-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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