[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-(3-ethanoylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-(3-ethanoylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-(3-acetylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-(3-acetylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonyl-4-phenyl-isonipecotic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C25H27N3O6S/c1-19(29)20-7-5-10-22(17-20)35(32,33)28-15-11-25(12-16-28,21-8-3-2-4-9-21)24(31)34-18-23(30)27-14-6-13-26/h2-5,7-10,17H,6,11-12,14-16,18H2,1H3,(H,27,30)