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

Systemtic Name: N-(3-acetamidophenyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-(3-acetamidophenyl)-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-(3-acetamidophenyl)-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: N-(3-acetamidophenyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-(3-acetamidophenyl)-3-[(4-tosylpiperazino)methyl]benzamide Formula: C27H30N4O4S MolecularWeight: 506.6165

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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=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)NC(=O)C

InChI

InChI=1S/C27H30N4O4S/c1-20-9-11-26(12-10-20)36(34,35)31-15-13-30(14-16-31)19-22-5-3-6-23(17-22)27(33)29-25-8-4-7-24(18-25)28-21(2)32/h3-12,17-18H,13-16,19H2,1-2H3,(H,28,32)(H,29,33)