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

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-[(4-chlorophenyl)methyl]-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-(4-chlorobenzyl)-3-[(4-tosylpiperazino)methyl]benzamide Formula: C26H28ClN3O3S MolecularWeight: 498.03682

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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)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H28ClN3O3S/c1-20-5-11-25(12-6-20)34(32,33)30-15-13-29(14-16-30)19-22-3-2-4-23(17-22)26(31)28-18-21-7-9-24(27)10-8-21/h2-12,17H,13-16,18-19H2,1H3,(H,28,31)