Chem
J-GLOBAL ID：200907084698936010   Nikkaji number：J2.295.030D

(2S)-3-(2,4-Dinitrophenylsulfonyl)-2,3,4,7-tetrahydro-1H-azocino[5,4-b]indole-2-carboxylic acid methyl ester

(2S)-3-(2,4-ジニトロフェニルスルホニル)-2,3,4,7-テトラヒドロ-1H-アゾシノ[5,4-b]インドール-2-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： C21H18N2[N+]2O6[O-]2S
Molecular formula furigana： C21-H18-N4-O8-S
Molecular weight： 486.460
InChI： InChI=1S/C21H18N4O8S/c1-33-21(26)19-12-15-14-5-2-3-6-16(14)22-17(15)7-4-10-23(19)34(31,32)20-9-8-13(24(27)28)11-18(20)25(29)30/h2-9,11,19,22H,10,12H2,1H3/t19-/m0/s1
InChI key： KYHAEWCMRMCFIG-IBGZPJMESA-N
SMILES： COC(=O)[C@@H]1Cc2c(C=CCN1S(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[nH]c1ccccc21
Systematic name  (4)：
  • (2S)-3-[(2,4-ジニトロフェニル)スルホニル]-1,2,3,4-テトラヒドロ-7H-アゾシノ[5,4-b]インドール-2-カルボン酸メチル
  • (2S)-3-(2,4-ジニトロフェニルスルホニル)-2,3,4,7-テトラヒドロ-1H-アゾシノ[5,4-b]インドール-2-カルボン酸メチル
  • メチル (2S)-3-(2,4-ジニトロベンゼンスルホニル)-1H,2H,3H,4H,7H-アゾシノ[5,4-b]インドール-2-カルボキシラート
  • methyl (2S)-3-(2,4-dinitrobenzenesulfonyl)-1H,2H,3H,4H,7H-azocino[5,4-b]indole-2-carboxylate
Other name (2)：
  • (2S)-3-[(2,4-Dinitrophenyl)sulfonyl]-1,2,3,4-tetrahydro-7H-azocino[5,4-b]indole-2-carboxylic acid methyl ester
  • (2S)-3-(2,4-Dinitrophenylsulfonyl)-2,3,4,7-tetrahydro-1H-azocino[5,4-b]indole-2-carboxylic acid methyl ester
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