ethyl 2-methyl-4-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(1-besylisonipecotoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O5S/c1-3-34-25(31)22-17(2)26-20-11-7-8-12-21(20)27-23(22)28-24(30)18-13-15-29(16-14-18)35(32,33)19-9-5-4-6-10-19/h4-12,18,26H,3,13-16H2,1-2H3,(H,27,28,30)