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

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-methylsulfanylphenyl)benzamide Openeye Name: N-(2-methylsulfanylphenyl)-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-[2-(methylthio)phenyl]benzamide IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-methylsulfanylphenyl)benzamide Traditional Name: N-[2-(methylthio)phenyl]-3-[(4-tosylpiperazino)methyl]benzamide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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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)NC4=CC=CC=C4SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4SC

InChI

InChI=1S/C26H29N3O3S2/c1-20-10-12-23(13-11-20)34(31,32)29-16-14-28(15-17-29)19-21-6-5-7-22(18-21)26(30)27-24-8-3-4-9-25(24)33-2/h3-13,18H,14-17,19H2,1-2H3,(H,27,30)