Chem
J-GLOBAL ID：200907069418726628   Nikkaji number：J2.295.045B

(2S)-3-[(2,4-Dinitrophenyl)sulfonyl]-6-methyl-1,2,3,4-tetrahydro-7H-azocino[5,4-b]indole-2-carboxylic acid methyl ester

メチル (2S)-3-(2,4-ジニトロベンゼンスルホニル)-6-メチル-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
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： C22H20N2[N+]2O6[O-]2S
Molecular formula furigana： C22-H20-N4-O8-S
Molecular weight： 500.480
InChI： InChI=1S/C22H20N4O8S/c1-13-9-10-24(35(32,33)20-8-7-14(25(28)29)11-18(20)26(30)31)19(22(27)34-2)12-16-15-5-3-4-6-17(15)23-21(13)16/h3-9,11,19,23H,10,12H2,1-2H3/t19-/m0/s1
InChI key： ADGOTLBDDCHCLR-IBGZPJMESA-N
SMILES： COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(=CCN1S(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
Systematic name  (3)：
  • (2S)-3-[(2,4-ジニトロフェニル)スルホニル]-6-メチル-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
  • メチル (2S)-3-(2,4-ジニトロベンゼンスルホニル)-6-メチル-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)-6-methyl-1H,2H,3H,4H,7H-azocino[5,4-b]indole-2-carboxylate
Other name (1)：
  • (2S)-3-[(2,4-Dinitrophenyl)sulfonyl]-6-methyl-1,2,3,4-tetrahydro-7H-azocino[5,4-b]indole-2-carboxylic acid methyl ester
Thsaurus map：
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