ethyl 5-cyano-2-ethyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-ethyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-ethyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-ethyl-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-ethylpyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-ethyl-nicotinic acid ethyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC

Isomeric SMILES

CCC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC

InChI

InChI=1S/C24H28N4O5S/c1-3-21-20(24(30)33-4-2)14-19(15-25)22(26-21)28-12-10-18(11-13-28)23(29)27-34(31,32)16-17-8-6-5-7-9-17/h5-9,14,18H,3-4,10-13,16H2,1-2H3,(H,27,29)