4-[3-(4-pyridin-4-ylphenyl)-4-(trifluoromethyl)-1H-pyrazol-5-yl]benzenesulfonamide

Systemtic Name: 4-[3-(4-pyridin-4-ylphenyl)-4-(trifluoromethyl)-1H-pyrazol-5-yl]benzenesulfonamide Openeye Name: 4-[3-[4-(4-pyridyl)phenyl]-4-(trifluoromethyl)-1H-pyrazol-5-yl]benzenesulfonamide CAS Name: 4-[3-(4-pyridin-4-ylphenyl)-4-(trifluoromethyl)-1H-pyrazol-5-yl]benzenesulfonamide IUPAC Name: 4-[3-(4-pyridin-4-ylphenyl)-4-(trifluoromethyl)-1H-pyrazol-5-yl]benzenesulfonamide Traditional Name: 4-[3-[4-(4-pyridyl)phenyl]-4-(trifluoromethyl)-1H-pyrazol-5-yl]benzenesulfonamide Formula: C21H15F3N4O2S MolecularWeight: 444.42961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=NC=C2)C3=NNC(=C3C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=NC=C2)C3=NNC(=C3C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H15F3N4O2S/c22-21(23,24)18-19(15-3-1-13(2-4-15)14-9-11-26-12-10-14)27-28-20(18)16-5-7-17(8-6-16)31(25,29)30/h1-12H,(H,27,28)(H2,25,29,30)