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

Systemtic Name: ethyl 5-cyano-2-ethylsulfanyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-ethylsulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-(ethylthio)-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-ethylsulfanylpyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-(ethylthio)nicotinic acid ethyl ester Formula: C24H28N4O5S2 MolecularWeight: 516.63292

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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)SCC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O5S2/c1-3-33-24(30)20-14-19(15-25)21(26-23(20)34-4-2)28-12-10-18(11-13-28)22(29)27-35(31,32)16-17-8-6-5-7-9-17/h5-9,14,18H,3-4,10-13,16H2,1-2H3,(H,27,29)