Chem
J-GLOBAL ID：200907006713229464
Nikkaji number：J1.598.122I
(4aS)-1-(2-Methylphenylsulfonyl)-2-oxo-6,7-dimethyl-1,2,4a,5,8,8aα-hexahydroquinoline-4aα-carboxylic acid methyl ester
(4aS)-1-(2-メチルフェニルスルホニル)-2-オキソ-6,7-ジメチル-1,2,4a,5,8,8aα-ヘキサヒドロキノリン-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/c1-13-7-5-6-8-16(13)27(24,25)21-17-11-14(2)15(3)12-20(17,19(23)26-4)10-9-18(21)22/h5-10,17H,11-12H2,1-4H3/t17-,20-/m1/s1
InChI key：
PKAYXACEYWKBTM-YLJYHZDGSA-N
SMILES：
COC(=O)[C@]12CC(=C(C)C[C@H]1N(C(=O)C=C2)S(=O)(=O)c1ccccc1C)C
Systematic name (3)：
- (4aS)-1-(2-メチルフェニルスルホニル)-2-オキソ-6,7-ジメチル-1,2,4a,5,8,8aα-ヘキサヒドロキノリン-4aα-カルボン酸メチル
- メチル (4aS,8aR)-6,7-ジメチル-1-(2-メチルベンゼンスルホニル)-2-オキソ-1,2,4a,5,8,8a-ヘキサヒドロキノリン-4a-カルボキシラート
- methyl (4aS,8aR)-6,7-dimethyl-1-(2-methylbenzenesulfonyl)-2-oxo-1,2,4a,5,8,8a-hexahydroquinoline-4a-carboxylate
- (4aS)-1-(2-Methylphenylsulfonyl)-2-oxo-6,7-dimethyl-1,2,4a,5,8,8aα-hexahydroquinoline-4aα-carboxylic acid methyl ester
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