5-(4-ethynylphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 5-(4-ethynylphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 5-(4-ethynylphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 5-(4-ethynylphenyl)-2-(1-pyrazolyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 5-(4-ethynylphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 5-(4-ethynylphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Formula: C18H12F3N3O2S MolecularWeight: 391.36699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F3N3O2S/c1-2-12-4-6-13(7-5-12)14-10-15(18(19,20)21)17(24-9-3-8-23-24)16(11-14)27(22,25)26/h1,3-11H,(H2,22,25,26)