N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-2-methylsulfanyl-benzamide Openeye Name: 2-methylsulfanyl-N-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzamide CAS Name: N-[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethyl]-2-(methylthio)benzamide IUPAC Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-2-methylsulfanylbenzamide Traditional Name: 2-(methylthio)-N-[2-(1-tosyl-2-piperidyl)ethyl]benzamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C22H28N2O3S2/c1-17-10-12-19(13-11-17)29(26,27)24-16-6-5-7-18(24)14-15-23-22(25)20-8-3-4-9-21(20)28-2/h3-4,8-13,18H,5-7,14-16H2,1-2H3,(H,23,25)