Chem
J-GLOBAL ID：200907095926107837   Nikkaji number：J1.457.944C

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

1-[(4-ニトロフェニル)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： C19H20N[N+]O6[O-]S
Molecular formula furigana： C19-H20-N2-O7-S
Molecular weight： 420.440
InChI： InChI=1S/C19H20N2O7S/c1-12-10-16-19(11-13(12)2,18(23)28-3)9-8-17(22)20(16)29(26,27)15-6-4-14(5-7-15)21(24)25/h4-9,16H,10-11H2,1-3H3/t16-,19-/m1/s1
InChI key： RODYGSHDDHVRTM-VQIMIIECSA-N
SMILES： COC(=O)[C@]12CC(=C(C)C[C@H]1N(C(=O)C=C2)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C
Systematic name  (4)：
  • 1-[(4-ニトロフェニル)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-(4-ニトロ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-(4-ニトロ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-(4-nitrobenzenesulfonyl)-2-oxo-1,2,4a,5,8,8a-hexahydroquinoline-4a-carboxylate
Other name (2)：
  • 1-[(4-Nitrophenyl)sulfonyl]-2-oxo-6,7-dimethyl-1,2,8,8aα-tetrahydroquinoline-4aα(5H)-carboxylic acid methyl ester
  • (4aS)-1-(4-Nitrophenylsulfonyl)-2-oxo-6,7-dimethyl-1,2,4a,5,8,8aα-hexahydroquinoline-4aα-carboxylic acid methyl ester
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