Chem
J-GLOBAL ID：200907028743599960   Nikkaji number：J1.269.180G

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

(4aS)-1-(2,4,6-トリイソプロピ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
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： C28H39NO5S
Molecular formula furigana： C28-H39-N-O5-S
Molecular weight： 501.680
InChI： InChI=1S/C28H39NO5S/c1-16(2)21-13-22(17(3)4)26(23(14-21)18(5)6)35(32,33)29-24-12-19(7)20(8)15-28(24,27(31)34-9)11-10-25(29)30/h10-11,13-14,16-18,24H,12,15H2,1-9H3/t24-,28-/m1/s1
InChI key： SHBBRMXYXFUWCX-UFHPHHKVSA-N
SMILES： COC(=O)[C@]12CC(=C(C)C[C@H]1N(C(=O)C=C2)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C
Systematic name  (4)：
  • (4aS)-1,2,4a,5,8,8aα-ヘキサヒドロ-1-[(2,4,6-トリイソプロピルフェニル)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
  • (4aS)-1-(2,4,6-トリイソプロピ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-トリス(プロパン-2-イル)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-tris(propan-2-yl)benzenesulfonyl]-1,2,4a,5,8,8a-hexahydroquinoline-4a-carboxylate
Other name (2)：
  • (4aS)-1,2,4a,5,8,8aα-Hexahydro-1-[(2,4,6-triisopropylphenyl)sulfonyl]-2-oxo-6,7-dimethylquinoline-4aα-carboxylic acid methyl ester
  • (4aS)-1-(2,4,6-Triisopropylphenylsulfonyl)-2-oxo-6,7-dimethyl-1,2,4a,5,8,8aα-hexahydroquinoline-4aα-carboxylic acid methyl ester
Thsaurus map：
Thesaurus Map

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