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

Systemtic Name: ethyl 4-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[[3-[(4-acetyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[3-(4-acetylpiperazino)sulfonylbenzoyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C27H31N5O6S MolecularWeight: 553.62994

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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(=O)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(=O)C)C(=O)OCC

InChI

InChI=1S/C27H31N5O6S/c1-4-21-24(27(35)38-5-2)25(29-23-12-7-6-11-22(23)28-21)30-26(34)19-9-8-10-20(17-19)39(36,37)32-15-13-31(14-16-32)18(3)33/h6-12,17,28H,4-5,13-16H2,1-3H3,(H,29,30,34)