Chem
J-GLOBAL ID：201607002770386797   Nikkaji number：J3.464.795J

1-Tosyl-3-amino-5-(p-chlorophenyl)-2,7-dihydro-1H-azepine-4-carboxylic acid methyl ester

1-トシル-3-アミノ-5-(p-クロロフェニル)-2,7-ジヒドロ-1H-アゼピン-4-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： C21H21ClN2O4S
Molecular formula furigana： C21-H21-CL-N2-O4-S
Molecular weight： 432.920
InChI： InChI=1S/C21H21ClN2O4S/c1-14-3-9-17(10-4-14)29(26,27)24-12-11-18(15-5-7-16(22)8-6-15)20(19(23)13-24)21(25)28-2/h3-11H,12-13,23H2,1-2H3
InChI key： WGSLZHCXJIAGKL-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(N)CN(CC=C1c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • 1-トシル-3-アミノ-5-(p-クロロフェニル)-2,7-ジヒドロ-1H-アゼピン-4-カルボン酸メチル
  • メチル 3-アミノ-5-(4-クロロフェニル)-1-(4-メチルベンゼンスルホニル)-2,7-ジヒドロ-1H-アゼピン-4-カルボキシラート
  • methyl 3-amino-5-(4-chlorophenyl)-1-(4-methylbenzenesulfonyl)-2,7-dihydro-1H-azepine-4-carboxylate
Other name (1)：
  • 1-Tosyl-3-amino-5-(p-chlorophenyl)-2,7-dihydro-1H-azepine-4-carboxylic acid methyl ester
Thsaurus map：
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