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

Systemtic Name: ethyl 2,5-dicyano-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-2,5-dicyano-pyridine-3-carboxylate CAS Name: 2,5-dicyano-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-2,5-dicyanopyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-2,5-dicyano-nicotinic acid ethyl ester Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H23N5O5S/c1-2-33-23(30)19-12-18(13-24)21(26-20(19)14-25)28-10-8-17(9-11-28)22(29)27-34(31,32)15-16-6-4-3-5-7-16/h3-7,12,17H,2,8-11,15H2,1H3,(H,27,29)