N-(2-methoxy-5-methyl-phenyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-(2-methoxy-5-methylphenyl)-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-3-[(4-tosylpiperazino)methyl]benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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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=C(C=CC(=C4)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-20-7-10-24(11-8-20)35(32,33)30-15-13-29(14-16-30)19-22-5-4-6-23(18-22)27(31)28-25-17-21(2)9-12-26(25)34-3/h4-12,17-18H,13-16,19H2,1-3H3,(H,28,31)