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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-[2-[(4-methylphenyl)thio]ethyl]benzamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-[2-(p-tolylthio)ethyl]-4-[(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=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

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