ethyl 4-[(4-ethoxycarbonylphenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[(4-ethoxycarbonylphenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(4-ethoxycarbonylphenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[(4-ethoxycarbonylphenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxycarbonylphenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(4-carbethoxyphenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C23H25N3O6S/c1-4-17-20(23(28)32-6-3)21(25-19-10-8-7-9-18(19)24-17)26-33(29,30)16-13-11-15(12-14-16)22(27)31-5-2/h7-14,24H,4-6H2,1-3H3,(H,25,26)