5-(4-ethynyl-3-methyl-phenyl)-2-fluoranyl-4-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 5-(4-ethynyl-3-methyl-phenyl)-2-fluoranyl-4-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 5-(4-ethynyl-3-methyl-phenyl)-2-fluoro-4-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 5-(4-ethynyl-3-methylphenyl)-2-fluoro-4-(1-pyrazolyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 5-(4-ethynyl-3-methylphenyl)-2-fluoro-4-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 5-(4-ethynyl-3-methyl-phenyl)-2-fluoro-4-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Formula: C19H13F4N3O2S MolecularWeight: 423.384033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C(=C2N3C=CC=N3)C(F)(F)F)F)S(=O)(=O)N)C#C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C(=C2N3C=CC=N3)C(F)(F)F)F)S(=O)(=O)N)C#C

InChI

InChI=1S/C19H13F4N3O2S/c1-3-12-5-6-13(9-11(12)2)14-10-15(29(24,27)28)17(20)16(19(21,22)23)18(14)26-8-4-7-25-26/h1,4-10H,2H3,(H2,24,27,28)