N-[2-(4-methylphenyl)sulfanylethyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-[2-[(4-methylphenyl)thio]ethyl]benzamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-[2-(p-tolylthio)ethyl]-3-[(4-tosylpiperazino)methyl]benzamide Formula: C28H33N3O3S2 MolecularWeight: 523.70992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H33N3O3S2/c1-22-6-10-26(11-7-22)35-19-14-29-28(32)25-5-3-4-24(20-25)21-30-15-17-31(18-16-30)36(33,34)27-12-8-23(2)9-13-27/h3-13,20H,14-19,21H2,1-2H3,(H,29,32)