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

Systemtic Name: 4-[5-(4-fluorophenyl)-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-[5-(4-fluorophenyl)-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-[5-(4-fluorophenyl)-6-(1-piperazinyl)-2-(trifluoromethyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[5-(4-fluorophenyl)-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-[5-(4-fluorophenyl)-6-piperazino-2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide Formula: C21H19F4N5O2S MolecularWeight: 481.466473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=NC(=C2C3=CC=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=NC(=NC(=C2C3=CC=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C21H19F4N5O2S/c22-15-5-1-13(2-6-15)17-18(14-3-7-16(8-4-14)33(26,31)32)28-20(21(23,24)25)29-19(17)30-11-9-27-10-12-30/h1-8,27H,9-12H2,(H2,26,31,32)