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

Systemtic Name: N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-cyclopropyl-4-[oxo-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclopropyl-4-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C22H25F3N3O3S+ MolecularWeight: 468.51241

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H24F3N3O3S/c23-22(24,25)18-5-1-16(2-6-18)15-27-11-13-28(14-12-27)21(29)17-3-9-20(10-4-17)32(30,31)26-19-7-8-19/h1-6,9-10,19,26H,7-8,11-15H2/p+1