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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-methoxy-5-methyl-phenyl)benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(2-methoxy-5-methylphenyl)benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-methoxy-5-methylphenyl)benzamide Traditional Name: 4-[(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=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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