N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethyl]pyridine-3-carboxamide CAS Name: N-[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[2-(1-tosyl-2-piperidyl)ethyl]nicotinamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H27N3O3S2/c1-16-8-10-18(11-9-16)29(26,27)24-15-4-3-6-17(24)12-14-22-20(25)19-7-5-13-23-21(19)28-2/h5,7-11,13,17H,3-4,6,12,14-15H2,1-2H3,(H,22,25)