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

Systemtic Name: N-methyl-N-phenyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-methyl-N-phenyl-benzenesulfonamide CAS Name: N-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-N-phenylbenzenesulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-methyl-N-phenyl-benzenesulfonamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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