N-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-yl]sulfanylphenyl]methanesulfonamide

Systemtic Name: N-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-yl]sulfanylphenyl]methanesulfonamide Openeye Name: N-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidyl]sulfanyl]phenyl]methanesulfonamide CAS Name: N-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidinyl]thio]phenyl]methanesulfonamide IUPAC Name: N-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-yl]sulfanylphenyl]methanesulfonamide Traditional Name: N-[4-[(1-homoveratryl-2-piperidyl)thio]phenyl]methanesulfonamide Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCCCC2SC3=CC=C(C=C3)NS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCCCC2SC3=CC=C(C=C3)NS(=O)(=O)C)OC

InChI

InChI=1S/C22H30N2O4S2/c1-27-20-12-7-17(16-21(20)28-2)13-15-24-14-5-4-6-22(24)29-19-10-8-18(9-11-19)23-30(3,25)26/h7-12,16,22-23H,4-6,13-15H2,1-3H3