Chem
J-GLOBAL ID:201607012062490881   Nikkaji number:J3.464.794A

1-Tosyl-3-amino-5-(p-chlorophenyl)-2,7-dihydro-1H-azepine-4-carboxylic acid ethyl 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-カルボン酸エチル
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: C22H23ClN2O4S
Molecular formula furigana: C22-H23-CL-N2-O4-S
Molecular weight: 446.950
InChI: InChI=1S/C22H23ClN2O4S/c1-3-29-22(26)21-19(16-6-8-17(23)9-7-16)12-13-25(14-20(21)24)30(27,28)18-10-4-15(2)5-11-18/h4-12H,3,13-14,24H2,1-2H3
InChI key: GTIUIUOAWSBPOQ-UHFFFAOYSA-N
SMILES: CCOC(=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-カルボン酸エチル
  • エチル 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
  • ethyl 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 ethyl ester
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