ethyl 2-ethyl-4-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(4-morpholinosulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(4-morpholinosulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C25H28N4O6S MolecularWeight: 512.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C(=O)OCC

InChI

InChI=1S/C25H28N4O6S/c1-3-19-22(25(31)35-4-2)23(27-21-8-6-5-7-20(21)26-19)28-24(30)17-9-11-18(12-10-17)36(32,33)29-13-15-34-16-14-29/h5-12,26H,3-4,13-16H2,1-2H3,(H,27,28,30)