4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[2-methyl-7-(trifluoromethyl)-4-quinolinyl]amino]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C21H16F3N5O2S MolecularWeight: 459.44425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H16F3N5O2S/c1-13-11-18(17-8-3-14(21(22,23)24)12-19(17)27-13)28-15-4-6-16(7-5-15)32(30,31)29-20-25-9-2-10-26-20/h2-12H,1H3,(H,27,28)(H,25,26,29)