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

Systemtic Name: ethyl 2-ethyl-4-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(3-pyrrolidinosulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C(=O)OCC

InChI

InChI=1S/C25H28N4O5S/c1-3-19-22(25(31)34-4-2)23(27-21-13-6-5-12-20(21)26-19)28-24(30)17-10-9-11-18(16-17)35(32,33)29-14-7-8-15-29/h5-6,9-13,16,26H,3-4,7-8,14-15H2,1-2H3,(H,27,28,30)