Chem
J-GLOBAL ID：200907027118648353   Nikkaji number：J1.598.124E

(4aS)-1-(4-Methylphenylsulfonyl)-2-oxo-3-bromo-7-methyl-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-7-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： C19H20BrNO5S
Molecular formula furigana： C19-H20-BR-N-O5-S
Molecular weight： 454.340
InChI： InChI=1S/C19H20BrNO5S/c1-12-4-6-14(7-5-12)27(24,25)21-16-10-13(2)8-9-19(16,18(23)26-3)11-15(20)17(21)22/h4-8,11,16H,9-10H2,1-3H3/t16-,19+/m1/s1
InChI key： HLCSWNDGASNXBQ-APWZRJJASA-N
SMILES： COC(=O)[C@]12CC=C(C)C[C@H]1N(C(=O)C(=C2)Br)S(=O)(=O)c1ccc(C)cc1
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-7-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-7-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-7-methyl-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-7-methyl-1,2,4a,5,8,8aα-hexahydroquinoline-4aα-carboxylic acid methyl ester
Thsaurus map：
Thesaurus Map

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