N-(4-bromanyl-3-methyl-phenyl)-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-bromo-3-methyl-phenyl)benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(4-bromo-3-methylphenyl)benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-bromo-3-methylphenyl)benzamide Traditional Name: 3-[(4-besylpiperazino)methyl]-N-(4-bromo-3-methyl-phenyl)benzamide Formula: C25H26BrN3O3S MolecularWeight: 528.46124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN3O3S/c1-19-16-22(10-11-24(19)26)27-25(30)21-7-5-6-20(17-21)18-28-12-14-29(15-13-28)33(31,32)23-8-3-2-4-9-23/h2-11,16-17H,12-15,18H2,1H3,(H,27,30)