Chem
J-GLOBAL ID：200907009115473082   Nikkaji number：J847.175D

(3S,4aα,7aα)-2-Tosyl-6β-(methylbenzoylamino)octahydro-1H-2-pyrindine-3α-carboxylic acid methyl ester

(3S,4aα,7aα)-2-トシル-6β-(メチルベンゾイルアミノ)オクタヒドロ-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： C25H30N2O5S
Molecular formula furigana： C25-H30-N2-O5-S
Molecular weight： 470.580
InChI： InChI=1S/C25H30N2O5S/c1-17-9-11-22(12-10-17)33(30,31)27-16-20-14-21(13-19(20)15-23(27)25(29)32-3)26(2)24(28)18-7-5-4-6-8-18/h4-12,19-21,23H,13-16H2,1-3H3/t19-,20+,21-,23+/m1/s1
InChI key： MQAJDVCBMIWGMO-SRUXOGRHSA-N
SMILES： COC(=O)[C@@H]1C[C@H]2C[C@H](C[C@H]2CN1S(=O)(=O)c1ccc(C)cc1)N(C)C(=O)c1ccccc1
Systematic name  (3)：
  • (3S,4aα,7aα)-2-トシル-6β-(メチルベンゾイルアミノ)オクタヒドロ-1H-2-ピリンジン-3α-カルボン酸メチル
  • メチル (3S,4aR,6R,7aR)-6-(N-メチルベンズアミド)-2-(4-メチルベンゼンスルホニル)-オクタヒドロ-1H-シクロペンタ[c]ピリジン-3-カルボキシラート
  • methyl (3S,4aR,6R,7aR)-6-(N-methylbenzamido)-2-(4-methylbenzenesulfonyl)-octahydro-1H-cyclopenta[c]pyridine-3-carboxylate
Other name (1)：
  • (3S,4aα,7aα)-2-Tosyl-6β-(methylbenzoylamino)octahydro-1H-2-pyrindine-3α-carboxylic acid methyl ester
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