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

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-phenylsulfanylethyl)benzamide Openeye Name: N-(2-phenylsulfanylethyl)-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-[2-(phenylthio)ethyl]benzamide IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-phenylsulfanylethyl)benzamide Traditional Name: N-[2-(phenylthio)ethyl]-3-[(4-tosylpiperazino)methyl]benzamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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