4-[3-(2-fluoranyl-4-methoxy-phenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

Systemtic Name: 4-[3-(2-fluoranyl-4-methoxy-phenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide Openeye Name: 4-[3-(2-fluoro-4-methoxy-phenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide CAS Name: 4-[3-(2-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide IUPAC Name: 4-[3-(2-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide Traditional Name: 4-[5-(2-fluoro-4-methoxy-phenyl)-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzenesulfonamide Formula: C17H15F4N3O3S MolecularWeight: 417.377913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)F

InChI

InChI=1S/C17H15F4N3O3S/c1-27-11-4-7-13(14(18)8-11)15-9-16(17(19,20)21)23-24(15)10-2-5-12(6-3-10)28(22,25)26/h2-8,15H,9H2,1H3,(H2,22,25,26)