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

Systemtic Name: N-(2-methylsulfanylphenyl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-methylsulfanylphenyl)benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[2-(methylthio)phenyl]benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-methylsulfanylphenyl)benzamide Traditional Name: 4-[(4-besylpiperazino)methyl]-N-[2-(methylthio)phenyl]benzamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c1-32-24-10-6-5-9-23(24)26-25(29)21-13-11-20(12-14-21)19-27-15-17-28(18-16-27)33(30,31)22-7-3-2-4-8-22/h2-14H,15-19H2,1H3,(H,26,29)