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

Systemtic Name: propan-2-yl 2,5-dicyano-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-2,5-dicyanopyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-2,5-dicyano-nicotinic acid isopropyl ester Formula: C24H25N5O5S MolecularWeight: 495.5508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OC(=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/C24H25N5O5S/c1-16(2)34-24(31)20-12-19(13-25)22(27-21(20)14-26)29-10-8-18(9-11-29)23(30)28-35(32,33)15-17-6-4-3-5-7-17/h3-7,12,16,18H,8-11,15H2,1-2H3,(H,28,30)