4-[5-ethynyl-4-(furan-2-yl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide

Systemtic Name: 4-[5-ethynyl-4-(furan-2-yl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide Openeye Name: 4-[5-ethynyl-4-(2-furyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide CAS Name: 4-[5-ethynyl-4-(2-furanyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide IUPAC Name: 4-[5-ethynyl-4-(furan-2-yl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide Traditional Name: 4-[3-ethynyl-4-(2-furyl)-5-phenyl-3-(trifluoromethyl)-3-pyrazolin-1-yl]benzenesulfonamide Formula: C22H16F3N3O3S MolecularWeight: 459.44095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(=C(N(N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CO4)C(F)(F)F

Isomeric SMILES

C#CC1(C(=C(N(N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CO4)C(F)(F)F

InChI

InChI=1S/C22H16F3N3O3S/c1-2-21(22(23,24)25)19(18-9-6-14-31-18)20(15-7-4-3-5-8-15)28(27-21)16-10-12-17(13-11-16)32(26,29)30/h1,3-14,27H,(H2,26,29,30)