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

Systemtic Name: 4-(4-ethynyl-3-fluoranyl-phenyl)-3-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide Openeye Name: 4-(4-ethynyl-3-fluoro-phenyl)-3-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide CAS Name: 4-(4-ethynyl-3-fluorophenyl)-3-(1-pyrazolyl)-5-(trifluoromethyl)benzenesulfonamide IUPAC Name: 4-(4-ethynyl-3-fluorophenyl)-3-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide Traditional Name: 4-(4-ethynyl-3-fluoro-phenyl)-3-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide Formula: C18H11F4N3O2S MolecularWeight: 409.357453

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=C(C=C1)C2=C(C=C(C=C2C(F)(F)F)S(=O)(=O)N)N3C=CC=N3)F

Isomeric SMILES

C#CC1=C(C=C(C=C1)C2=C(C=C(C=C2C(F)(F)F)S(=O)(=O)N)N3C=CC=N3)F

InChI

InChI=1S/C18H11F4N3O2S/c1-2-11-4-5-12(8-15(11)19)17-14(18(20,21)22)9-13(28(23,26)27)10-16(17)25-7-3-6-24-25/h1,3-10H,(H2,23,26,27)