ethyl 2-ethyl-4-[[3-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[[3-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[[3-(4-methylpiperazino)sulfonylbenzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C26H31N5O5S MolecularWeight: 525.61984

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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)N4CCN(CC4)C)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C)C(=O)OCC

InChI

InChI=1S/C26H31N5O5S/c1-4-20-23(26(33)36-5-2)24(28-22-12-7-6-11-21(22)27-20)29-25(32)18-9-8-10-19(17-18)37(34,35)31-15-13-30(3)14-16-31/h6-12,17,27H,4-5,13-16H2,1-3H3,(H,28,29,32)