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

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

Isomeric SMILES

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

InChI

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