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

Systemtic Name: ethyl 5-cyano-2-methylsulfanyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-methylsulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-(methylthio)-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-methylsulfanylpyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-(methylthio)nicotinic acid ethyl ester Formula: C23H26N4O5S2 MolecularWeight: 502.60634

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5S2/c1-3-32-23(29)19-13-18(14-24)20(25-22(19)33-2)27-11-9-17(10-12-27)21(28)26-34(30,31)15-16-7-5-4-6-8-16/h4-8,13,17H,3,9-12,15H2,1-2H3,(H,26,28)