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

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide Openeye Name: N-phenyl-4-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]benzamide CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-N-phenylbenzamide Traditional Name: N-phenyl-4-[(4-tosylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-20-7-13-24(14-8-20)32(30,31)28-17-15-27(16-18-28)19-21-9-11-22(12-10-21)25(29)26-23-5-3-2-4-6-23/h2-14H,15-19H2,1H3,(H,26,29)/p+1