2,5-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C20H25F3N3O2S+ MolecularWeight: 428.49161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H24F3N3O2S/c1-14-4-5-15(2)19(12-14)29(27,28)24-17-13-16(20(21,22)23)6-7-18(17)26-10-8-25(3)9-11-26/h4-7,12-13,24H,8-11H2,1-3H3/p+1