ethyl 2-ethyl-4-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[[4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[[4-methoxy-3-(2-methylpiperidino)sulfonyl-benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C28H34N4O6S MolecularWeight: 554.65776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4C)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4C)C(=O)OCC

InChI

InChI=1S/C28H34N4O6S/c1-5-20-25(28(34)38-6-2)26(30-22-13-8-7-12-21(22)29-20)31-27(33)19-14-15-23(37-4)24(17-19)39(35,36)32-16-10-9-11-18(32)3/h7-8,12-15,17-18,29H,5-6,9-11,16H2,1-4H3,(H,30,31,33)