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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[1-(p-tolylsulfonyl)-4-piperidyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide Traditional Name: 2-(cyanomethylthio)-N-(1-tosyl-4-piperidyl)benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H23N3O3S2/c1-16-6-8-18(9-7-16)29(26,27)24-13-10-17(11-14-24)23-21(25)19-4-2-3-5-20(19)28-15-12-22/h2-9,17H,10-11,13-15H2,1H3,(H,23,25)