4-[4-(3-fluoranyl-4-methoxy-phenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[4-(3-fluoranyl-4-methoxy-phenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[4-(3-fluoro-4-methoxy-phenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[4-(3-fluoro-4-methoxyphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[4-(3-fluoro-4-methoxyphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[4-(3-fluoro-4-methoxy-phenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Formula: C20H15F4N3O3S MolecularWeight: 453.410013

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)OC)F)C(F)(F)F

Isomeric SMILES

CC#CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)OC)F)C(F)(F)F

InChI

InChI=1S/C20H15F4N3O3S/c1-3-10-27-19(20(22,23)24)17(13-6-9-16(30-2)15(21)11-13)18(26-27)12-4-7-14(8-5-12)31(25,28)29/h4-9,11H,1-2H3,(H2,25,28,29)