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

Systemtic Name: ethyl 4-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[1-(4-chlorophenyl)sulfonylisonipecotoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C25H27ClN4O5S MolecularWeight: 531.02368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O5S/c1-3-35-25(32)22-16(2)27-20-6-4-5-7-21(20)28-23(22)29-24(31)17-12-14-30(15-13-17)36(33,34)19-10-8-18(26)9-11-19/h4-11,17,27H,3,12-15H2,1-2H3,(H,28,29,31)