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

Systemtic Name: N-[(2-methylphenyl)methyl]-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-(o-tolylmethyl)-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-[(2-methylphenyl)methyl]-4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: N-[(2-methylphenyl)methyl]-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-(2-methylbenzyl)-4-[(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=C(C=C3)C(=O)NCC4=CC=CC=C4C

Isomeric SMILES

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

InChI

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