2-(2-methylphenyl)sulfanyl-N-[[4-(4-oxidanylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)sulfanyl-N-[[4-(4-oxidanylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamide Openeye Name: N-[[4-[(4-hydroxy-1-piperidyl)sulfonyl]phenyl]methyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[[4-[(4-hydroxy-1-piperidinyl)sulfonyl]phenyl]methyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-[4-(4-hydroxypiperidino)sulfonylbenzyl]-2-(o-tolylthio)acetamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)O

InChI

InChI=1S/C21H26N2O4S2/c1-16-4-2-3-5-20(16)28-15-21(25)22-14-17-6-8-19(9-7-17)29(26,27)23-12-10-18(24)11-13-23/h2-9,18,24H,10-15H2,1H3,(H,22,25)