N-methyl-N-(4-methylphenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-methyl-N-(4-methylphenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-methyl-N-(p-tolyl)benzenesulfonamide CAS Name: N-methyl-N-(4-methylphenyl)-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-methyl-N-(p-tolyl)benzenesulfonamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-21-11-13-24(14-12-21)27(2)33(31,32)25-10-6-9-23(19-25)26(30)29-17-15-28(16-18-29)20-22-7-4-3-5-8-22/h3-14,19H,15-18,20H2,1-2H3/p+1