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

Systemtic Name: N,N-dimethyl-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[oxo-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C21H25F3N3O3S+ MolecularWeight: 456.50171

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O3S/c1-25(2)31(29,30)19-5-3-4-17(14-19)20(28)27-12-10-26(11-13-27)15-16-6-8-18(9-7-16)21(22,23)24/h3-9,14H,10-13,15H2,1-2H3/p+1