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

Systemtic Name: N-[(2-methylphenyl)methyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-(o-tolylmethyl)-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-[(2-methylphenyl)methyl]-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: N-[(2-methylphenyl)methyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-(2-methylbenzyl)-3-[(4-tosylpiperazino)methyl]benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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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=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4C

InChI

InChI=1S/C27H31N3O3S/c1-21-10-12-26(13-11-21)34(32,33)30-16-14-29(15-17-30)20-23-7-5-9-24(18-23)27(31)28-19-25-8-4-3-6-22(25)2/h3-13,18H,14-17,19-20H2,1-2H3,(H,28,31)