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

Systemtic Name: ethyl 5-chloranyl-2-methylsulfanyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-chloro-2-methylsulfanyl-pyridine-3-carboxylate CAS Name: 5-chloro-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-chloro-2-methylsulfanylpyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-chloro-2-(methylthio)nicotinic acid ethyl ester Formula: C22H26ClN3O5S2 MolecularWeight: 512.04194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1SC)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1SC)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O5S2/c1-3-31-22(28)17-13-18(23)19(24-21(17)32-2)26-11-9-16(10-12-26)20(27)25-33(29,30)14-15-7-5-4-6-8-15/h4-8,13,16H,3,9-12,14H2,1-2H3,(H,25,27)