Chem
J-GLOBAL ID：200907010196616360   Nikkaji number：J1.269.181E

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

1-[(2,4,6-トリメチルフェニル)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： C22H27NO5S
Molecular formula furigana： C22-H27-N-O5-S
Molecular weight： 417.520
InChI： InChI=1S/C22H27NO5S/c1-13-9-15(3)20(16(4)10-13)29(26,27)23-18-11-14(2)17(5)12-22(18,21(25)28-6)8-7-19(23)24/h7-10,18H,11-12H2,1-6H3/t18-,22-/m1/s1
InChI key： FXPBSUOMMBNOJT-XMSQKQJNSA-N
SMILES： COC(=O)[C@]12CC(=C(C)C[C@H]1N(C(=O)C=C2)S(=O)(=O)c1c(C)cc(C)cc1C)C
Systematic name  (5)：
  • (4aS)-1,2,4a,5,8,8aα-ヘキサヒドロ-1-[(2,4,6-トリメチルフェニル)スルホニル]-2-オキソ-6,7-ジメチルキノリン-4aα-カルボン酸メチル
  • 1-[(2,4,6-トリメチルフェニル)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-(2,4,6-トリ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-2-オキソ-1-(2,4,6-トリメチルベンゼンスルホニル)-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-2-oxo-1-(2,4,6-trimethylbenzenesulfonyl)-1,2,4a,5,8,8a-hexahydroquinoline-4a-carboxylate
Other name (3)：
  • (4aS)-1,2,4a,5,8,8aα-Hexahydro-1-[(2,4,6-trimethylphenyl)sulfonyl]-2-oxo-6,7-dimethylquinoline-4aα-carboxylic acid methyl ester
  • 1-[(2,4,6-Trimethylphenyl)sulfonyl]-2-oxo-6,7-dimethyl-1,2,8,8aα-tetrahydroquinoline-4aα(5H)-carboxylic acid methyl ester
  • (4aS)-1-(2,4,6-Trimethylphenylsulfonyl)-2-oxo-6,7-dimethyl-1,2,4a,5,8,8aα-hexahydroquinoline-4aα-carboxylic acid methyl ester
Thsaurus map：
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