4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-phenylsulfanylethyl)benzamide

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-phenylsulfanylethyl)benzamide Openeye Name: N-(2-phenylsulfanylethyl)-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-[2-(phenylthio)ethyl]benzamide IUPAC Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-phenylsulfanylethyl)benzamide Traditional Name: N-[2-(phenylthio)ethyl]-4-[(4-tosylpiperazino)methyl]benzamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)NCCSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)NCCSC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S2/c1-22-7-13-26(14-8-22)35(32,33)30-18-16-29(17-19-30)21-23-9-11-24(12-10-23)27(31)28-15-20-34-25-5-3-2-4-6-25/h2-14H,15-21H2,1H3,(H,28,31)