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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-methoxy-5-methyl-phenyl)benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(2-methoxy-5-methylphenyl)benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-methoxy-5-methylphenyl)benzamide Traditional Name: 3-[(4-besylpiperazino)methyl]-N-(2-methoxy-5-methyl-phenyl)benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-20-11-12-25(33-2)24(17-20)27-26(30)22-8-6-7-21(18-22)19-28-13-15-29(16-14-28)34(31,32)23-9-4-3-5-10-23/h3-12,17-18H,13-16,19H2,1-2H3,(H,27,30)