ethyl 5-cyano-2-methyl-6-[3-[2-oxidanylidene-2-[(phenylmethyl)sulfonylamino]ethyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[2-oxidanylidene-2-[(phenylmethyl)sulfonylamino]ethyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-[2-(benzylsulfonylamino)-2-oxo-ethyl]-1-piperidyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[2-oxo-2-[(phenylmethyl)sulfonylamino]ethyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[2-(benzylsulfonylamino)-2-oxoethyl]piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-[2-(benzylsulfonylamino)-2-keto-ethyl]piperidino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCCC(C2)CC(=O)NS(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCCC(C2)CC(=O)NS(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H28N4O5S/c1-3-33-24(30)21-13-20(14-25)23(26-17(21)2)28-11-7-10-19(15-28)12-22(29)27-34(31,32)16-18-8-5-4-6-9-18/h4-6,8-9,13,19H,3,7,10-12,15-16H2,1-2H3,(H,27,29)