Chem
J-GLOBAL ID：200907080886983070   Nikkaji number：J847.169J

(3S)-2-Tosyl-6-oxo-7-(4-chlorophenyl)-2,3,4,4aα,5,6-hexahydro-1H-2-pyrindine-3α-carboxylic acid methyl ester

(3S)-2-トシル-6-オキソ-7-(4-クロロフェニル)-2,3,4,4aα,5,6-ヘキサヒドロ-1H-2-ピリンジン-3α-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： C23H22ClNO5S
Molecular formula furigana： C23-H22-CL-N-O5-S
Molecular weight： 459.940
InChI： InChI=1S/C23H22ClNO5S/c1-14-3-9-18(10-4-14)31(28,29)25-13-19-16(11-20(25)23(27)30-2)12-21(26)22(19)15-5-7-17(24)8-6-15/h3-10,16,20H,11-13H2,1-2H3/t16-,20-/m0/s1
InChI key： AKVYIFWARJDFRW-JXFKEZNVSA-N
SMILES： COC(=O)[C@@H]1C[C@H]2CC(=O)C(=C2CN1S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
Systematic name  (3)：
  • (3S)-2-トシル-6-オキソ-7-(4-クロロフェニル)-2,3,4,4aα,5,6-ヘキサヒドロ-1H-2-ピリンジン-3α-カルボン酸メチル
  • メチル (3S,4aS)-7-(4-クロロフェニル)-2-(4-メチルベンゼンスルホニル)-6-オキソ-1H,2H,3H,4H,4aH,5H,6H-シクロペンタ[c]ピリジン-3-カルボキシラート
  • methyl (3S,4aS)-7-(4-chlorophenyl)-2-(4-methylbenzenesulfonyl)-6-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[c]pyridine-3-carboxylate
Other name (1)：
  • (3S)-2-Tosyl-6-oxo-7-(4-chlorophenyl)-2,3,4,4aα,5,6-hexahydro-1H-2-pyrindine-3α-carboxylic acid methyl ester
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