Chem
J-GLOBAL ID：200907039429635784   Nikkaji number：J1.457.947H

1-(Phenylsulfonyl)-2-oxo-6,7-dimethyl-1,2,8,8aα-tetrahydroquinoline-4aα(5H)-carboxylic acid methyl ester

1-(フェニルスルホニル)-2-オキソ-6,7-ジメチル-1,2,8,8aα-テトラヒドロキノリン-4aα(5H)-カルボン酸メチル
Substance type：
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
Molecular formula： C19H21NO5S
Molecular formula furigana： C19-H21-N-O5-S
Molecular weight： 375.440
InChI： InChI=1S/C19H21NO5S/c1-13-11-16-19(12-14(13)2,18(22)25-3)10-9-17(21)20(16)26(23,24)15-7-5-4-6-8-15/h4-10,16H,11-12H2,1-3H3/t16-,19-/m1/s1
InChI key： UVVNAJKBTFQWMQ-VQIMIIECSA-N
SMILES： COC(=O)[C@]12CC(=C(C)C[C@H]1N(C(=O)C=C2)S(=O)(=O)c1ccccc1)C
Systematic name  (4)：
  • 1-(フェニルスルホニル)-2-オキソ-6,7-ジメチル-1,2,8,8aα-テトラヒドロキノリン-4aα(5H)-カルボン酸メチル
  • (4aS)-1-(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)-1-(ベンゼンスルホニル)-6,7-ジメチル-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)-1-(benzenesulfonyl)-6,7-dimethyl-2-oxo-1,2,4a,5,8,8a-hexahydroquinoline-4a-carboxylate
Other name (2)：
  • 1-(Phenylsulfonyl)-2-oxo-6,7-dimethyl-1,2,8,8aα-tetrahydroquinoline-4aα(5H)-carboxylic acid methyl ester
  • (4aS)-1-(Phenylsulfonyl)-2-oxo-6,7-dimethyl-1,2,4a,5,8,8aα-hexahydroquinoline-4aα-carboxylic acid methyl ester
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