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

Systemtic Name: ethyl 4-[(3-ethanoylphenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(3-acetylphenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[(3-acetylphenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-acetylphenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(3-acetylphenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC(=C3)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC(=C3)C(=O)C)C

InChI

InChI=1S/C21H21N3O5S/c1-4-29-21(26)19-13(2)22-17-10-5-6-11-18(17)23-20(19)24-30(27,28)16-9-7-8-15(12-16)14(3)25/h5-12,22H,4H2,1-3H3,(H,23,24)