N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-amine

Systemtic Name: N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-amine Openeye Name: N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-amine CAS Name: N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-1-pyrazolyl]-2-quinolinamine IUPAC Name: N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-amine Traditional Name: (4-mesylphenyl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]-2-quinolyl]amine Formula: C20H15F3N4O2S MolecularWeight: 432.41891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)N4C=CC(=N4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)N4C=CC(=N4)C(F)(F)F

InChI

InChI=1S/C20H15F3N4O2S/c1-30(28,29)14-8-6-13(7-9-14)24-19-12-17(15-4-2-3-5-16(15)25-19)27-11-10-18(26-27)20(21,22)23/h2-12H,1H3,(H,24,25)