N-[4-[1-(2-pyridin-4-ylsulfanylethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[1-(2-pyridin-4-ylsulfanylethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[1-[2-(4-pyridylsulfanyl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[oxo-[1-[2-(pyridin-4-ylthio)ethyl]-4-piperidinyl]methyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[1-(2-pyridin-4-ylsulfanylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-[2-(4-pyridylthio)ethyl]isonipecotoyl]phenyl]methanesulfonamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCSC3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCSC3=CC=NC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-28(25,26)22-18-4-2-16(3-5-18)20(24)17-8-12-23(13-9-17)14-15-27-19-6-10-21-11-7-19/h2-7,10-11,17,22H,8-9,12-15H2,1H3