2-[4-[[5-oxidanylidene-1-[2-(trifluoromethyl)phenyl]-1-[4,4,4-tris(fluoranyl)butyl]-1,2,4-triazol-1-ium-4-yl]methyl]phenyl]benzenesulfonamide

Systemtic Name: 2-[4-[[5-oxidanylidene-1-[2-(trifluoromethyl)phenyl]-1-[4,4,4-tris(fluoranyl)butyl]-1,2,4-triazol-1-ium-4-yl]methyl]phenyl]benzenesulfonamide Openeye Name: 2-[4-[[5-oxo-1-(4,4,4-trifluorobutyl)-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-ium-4-yl]methyl]phenyl]benzenesulfonamide CAS Name: 2-[4-[[5-oxo-1-(4,4,4-trifluorobutyl)-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-ium-4-yl]methyl]phenyl]benzenesulfonamide IUPAC Name: 2-[4-[[5-oxo-1-(4,4,4-trifluorobutyl)-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-ium-4-yl]methyl]phenyl]benzenesulfonamide Traditional Name: 2-[4-[[5-keto-1-(4,4,4-trifluorobutyl)-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-ium-4-yl]methyl]phenyl]benzenesulfonamide Formula: C26H23F6N4O3S+ MolecularWeight: 585.541239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=N[N+](C3=O)(CCCC(F)(F)F)C4=CC=CC=C4C(F)(F)F)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=N[N+](C3=O)(CCCC(F)(F)F)C4=CC=CC=C4C(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C26H23F6N4O3S/c27-25(28,29)14-5-15-36(22-8-3-2-7-21(22)26(30,31)32)24(37)35(17-34-36)16-18-10-12-19(13-11-18)20-6-1-4-9-23(20)40(33,38)39/h1-4,6-13,17H,5,14-16H2,(H2,33,38,39)/q+1