benzenesulfonic acid; 5-methyl-N-[4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)quinolin-7-yl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 5-methyl-N-[4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)quinolin-7-yl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-methyl-N-[4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)-7-quinolyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-methyl-N-[4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)-7-quinolinyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-methyl-N-[4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)quinolin-7-yl]pyrimidin-4-amine Traditional Name: besylic acid; [5-methyl-6-[4-(trifluoromethyl)-7-quinolyl]pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C28H20F6N4O3S MolecularWeight: 606.538819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1NC2=CC=C(C=C2)C(F)(F)F)C3=CC4=NC=CC(=C4C=C3)C(F)(F)F.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=CN=C1NC2=CC=C(C=C2)C(F)(F)F)C3=CC4=NC=CC(=C4C=C3)C(F)(F)F.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H14F6N4.C6H6O3S/c1-12-19(13-2-7-16-17(22(26,27)28)8-9-29-18(16)10-13)30-11-31-20(12)32-15-5-3-14(4-6-15)21(23,24)25;7-10(8,9)6-4-2-1-3-5-6/h2-11H,1H3,(H,30,31,32);1-5H,(H,7,8,9)