4-[5-(4-fluorophenyl)-4-oxidanylidene-2-(trifluoromethyl)-1H-pyrimidin-6-yl]benzenesulfonamide

Systemtic Name: 4-[5-(4-fluorophenyl)-4-oxidanylidene-2-(trifluoromethyl)-1H-pyrimidin-6-yl]benzenesulfonamide Openeye Name: 4-[5-(4-fluorophenyl)-4-oxo-2-(trifluoromethyl)-1H-pyrimidin-6-yl]benzenesulfonamide CAS Name: 4-[5-(4-fluorophenyl)-4-oxo-2-(trifluoromethyl)-1H-pyrimidin-6-yl]benzenesulfonamide IUPAC Name: 4-[5-(4-fluorophenyl)-4-oxo-2-(trifluoromethyl)-1H-pyrimidin-6-yl]benzenesulfonamide Traditional Name: 4-[5-(4-fluorophenyl)-4-keto-2-(trifluoromethyl)-1H-pyrimidin-6-yl]benzenesulfonamide Formula: C17H11F4N3O3S MolecularWeight: 413.346153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(NC(=NC2=O)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(NC(=NC2=O)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N)F

InChI

InChI=1S/C17H11F4N3O3S/c18-11-5-1-9(2-6-11)13-14(23-16(17(19,20)21)24-15(13)25)10-3-7-12(8-4-10)28(22,26)27/h1-8H,(H2,22,26,27)(H,23,24,25)