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

Systemtic Name: 4-[7-methoxy-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[7-methoxy-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[7-methoxy-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide IUPAC Name: 4-[7-methoxy-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[7-methoxy-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide Formula: C18H14F3N3O3S2 MolecularWeight: 441.44727

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(C(=NN3C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F)SC2

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(C(=NN3C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F)SC2

InChI

InChI=1S/C18H14F3N3O3S2/c1-27-12-4-7-14-10(8-12)9-28-16-15(14)24(23-17(16)18(19,20)21)11-2-5-13(6-3-11)29(22,25)26/h2-8H,9H2,1H3,(H2,22,25,26)