N-[4-[1-[2-(3-methylpyridin-4-yl)sulfanylethyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[1-[2-(3-methylpyridin-4-yl)sulfanylethyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[1-[2-[(3-methyl-4-pyridyl)sulfanyl]ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[1-[2-[(3-methyl-4-pyridinyl)thio]ethyl]-4-piperidinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[1-[2-(3-methylpyridin-4-yl)sulfanylethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-[2-[(3-methyl-4-pyridyl)thio]ethyl]isonipecotoyl]phenyl]methanesulfonamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)SCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CN=C1)SCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H27N3O3S2/c1-16-15-22-10-7-20(16)28-14-13-24-11-8-18(9-12-24)21(25)17-3-5-19(6-4-17)23-29(2,26)27/h3-7,10,15,18,23H,8-9,11-14H2,1-2H3