4-[4-(4-fluorophenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[4-(4-fluorophenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[4-(4-fluorophenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[4-(4-fluorophenyl)-1-prop-2-ynyl-5-(trifluoromethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[4-(4-fluorophenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[4-(4-fluorophenyl)-1-propargyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Formula: C19H13F4N3O2S MolecularWeight: 423.384033

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F)C(F)(F)F

Isomeric SMILES

C#CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F)C(F)(F)F

InChI

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