Chem
J-GLOBAL ID：200907039874993356
Nikkaji number：J1.598.119I
(4aS)-1-Oxo-2-(4-methylphenylsulfonyl)-6,7-dimethyl-1,2,4a,5,8,8aβ-hexahydroisoquinoline-4aα-carboxylic acid methyl ester
(4aS)-1-オキソ-2-(4-メチルフェニルスルホニル)-6,7-ジメチル-1,2,4a,5,8,8aβ-ヘキサヒドロイソキノリン-4aα-カルボン酸メチル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C20H23NO5S
Molecular formula furigana： C20-H23-N-O5-S
Molecular weight： 389.470
InChI：
InChI=1S/C20H23NO5S/c1-13-5-7-16(8-6-13)27(24,25)21-10-9-20(19(23)26-4)12-15(3)14(2)11-17(20)18(21)22/h5-10,17H,11-12H2,1-4H3/t17-,20-/m1/s1
InChI key：
CKMZYOXBADEMRY-YLJYHZDGSA-N
SMILES：
COC(=O)[C@]12CC(=C(C)C[C@@H]1C(=O)N(C=C2)S(=O)(=O)c1ccc(C)cc1)C
Systematic name (3)：
- (4aS)-1-オキソ-2-(4-メチルフェニルスルホニル)-6,7-ジメチル-1,2,4a,5,8,8aβ-ヘキサヒドロイソキノリン-4aα-カルボン酸メチル
- メチル (4aS,8aS)-6,7-ジメチル-2-(4-メチルベンゼンスルホニル)-1-オキソ-1,2,4a,5,8,8a-ヘキサヒドロイソキノリン-4a-カルボキシラート
- methyl (4aS,8aS)-6,7-dimethyl-2-(4-methylbenzenesulfonyl)-1-oxo-1,2,4a,5,8,8a-hexahydroisoquinoline-4a-carboxylate
- (4aS)-1-Oxo-2-(4-methylphenylsulfonyl)-6,7-dimethyl-1,2,4a,5,8,8aβ-hexahydroisoquinoline-4aα-carboxylic acid methyl ester
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