Chem
J-GLOBAL ID：200907086102822880   Nikkaji number：J1.598.123G

(4aS)-1-(4-Methylphenylsulfonyl)-2-oxo-3-bromo-6,7-dimethyl-1,2,4a,5,8,8aα-hexahydroquinoline-4aα-carboxylic acid methyl ester

(4aS)-1-(4-メチルフェニルスルホニル)-2-オキソ-3-ブロモ-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
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： C20H22BrNO5S
Molecular formula furigana： C20-H22-BR-N-O5-S
Molecular weight： 468.360
InChI： InChI=1S/C20H22BrNO5S/c1-12-5-7-15(8-6-12)28(25,26)22-17-9-13(2)14(3)10-20(17,19(24)27-4)11-16(21)18(22)23/h5-8,11,17H,9-10H2,1-4H3/t17-,20+/m1/s1
InChI key： WLXXNVLDLXQVOS-XLIONFOSSA-N
SMILES： COC(=O)[C@]12CC(=C(C)C[C@H]1N(C(=O)C(=C2)Br)S(=O)(=O)c1ccc(C)cc1)C
Systematic name  (3)：
  • (4aS)-1-(4-メチルフェニルスルホニル)-2-オキソ-3-ブロモ-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)-3-ブロモ-6,7-ジメチル-1-(4-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)-3-bromo-6,7-dimethyl-1-(4-methylbenzenesulfonyl)-2-oxo-1,2,4a,5,8,8a-hexahydroquinoline-4a-carboxylate
Other name (1)：
  • (4aS)-1-(4-Methylphenylsulfonyl)-2-oxo-3-bromo-6,7-dimethyl-1,2,4a,5,8,8aα-hexahydroquinoline-4aα-carboxylic acid methyl ester
Thsaurus map：
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