Chem
J-GLOBAL ID：200907053558270914   Nikkaji number：J847.172J

(3S)-2-(2-Nitrophenylsulfonyl)-6-oxo-2,3,4,6,7,7aβ-hexahydro-1H-2-pyrindine-3α-carboxylic acid methyl ester

(3S)-2-(2-ニトロフェニルスルホニル)-6-オキソ-2,3,4,6,7,7aβ-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： C16H16N[N+]O6[O-]S
Molecular formula furigana： C16-H16-N2-O7-S
Molecular weight： 380.370
InChI： InChI=1S/C16H16N2O7S/c1-25-16(20)14-8-10-6-12(19)7-11(10)9-17(14)26(23,24)15-5-3-2-4-13(15)18(21)22/h2-6,11,14H,7-9H2,1H3/t11-,14+/m1/s1
InChI key： RQCYTAWFYDHXOU-RISCZKNCSA-N
SMILES： COC(=O)[C@@H]1CC2=CC(=O)C[C@@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]
Systematic name  (3)：
  • (3S)-2-(2-ニトロフェニルスルホニル)-6-オキソ-2,3,4,6,7,7aβ-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,7aS)-2-(2-ニトロベンゼンスルホニル)-6-オキソ-1H,2H,3H,4H,6H,7H,7aH-シクロペンタ[c]ピリジン-3-カルボキシラート
  • methyl (3S,7aS)-2-(2-nitrobenzenesulfonyl)-6-oxo-1H,2H,3H,4H,6H,7H,7aH-cyclopenta[c]pyridine-3-carboxylate
Other name (1)：
  • (3S)-2-(2-Nitrophenylsulfonyl)-6-oxo-2,3,4,6,7,7aβ-hexahydro-1H-2-pyrindine-3α-carboxylic acid methyl ester
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