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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[2-[(4-methylphenyl)thio]ethyl]benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide Traditional Name: 3-[(4-besylpiperazino)methyl]-N-[2-(p-tolylthio)ethyl]benzamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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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=CC=C4

Isomeric SMILES

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

InChI

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