4-[6-fluoranyl-7-methoxy-4-oxidanyl-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-4-ium-1-yl]benzenesulfonamide

Systemtic Name: 4-[6-fluoranyl-7-methoxy-4-oxidanyl-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-4-ium-1-yl]benzenesulfonamide Openeye Name: 4-[6-fluoro-4-hydroxy-7-methoxy-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-4-ium-1-yl]benzenesulfonamide CAS Name: 4-[6-fluoro-4-hydroxy-7-methoxy-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-4-ium-1-yl]benzenesulfonamide IUPAC Name: 4-[6-fluoro-4-hydroxy-7-methoxy-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-4-ium-1-yl]benzenesulfonamide Traditional Name: 4-[6-fluoro-4-hydroxy-7-methoxy-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-4-ium-1-yl]benzenesulfonamide Formula: C18H14F4N3O4S2+ MolecularWeight: 476.445073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C3=C(C(=NN3C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F)[S+](C2)O)F

Isomeric SMILES

COC1=C(C2=C(C=C1)C3=C(C(=NN3C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F)[S+](C2)O)F

InChI

InChI=1S/C18H14F4N3O4S2/c1-29-13-7-6-11-12(14(13)19)8-30(26)16-15(11)25(24-17(16)18(20,21)22)9-2-4-10(5-3-9)31(23,27)28/h2-7,26H,8H2,1H3,(H2,23,27,28)/q+1