benzenesulfonic acid; 4-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

Systemtic Name: benzenesulfonic acid; 4-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine Openeye Name: benzenesulfonic acid; 4-methyl-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine CAS Name: benzenesulfonic acid; 4-methyl-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine IUPAC Name: benzenesulfonic acid; 4-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine Traditional Name: besylic acid; [4-methyl-6-(7-quinolyl)-s-triazin-2-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C26H20F3N5O3S MolecularWeight: 539.52891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)C2=CC3=C(C=CC=N3)C=C2)NC4=CC=C(C=C4)C(F)(F)F.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=NC(=NC(=N1)C2=CC3=C(C=CC=N3)C=C2)NC4=CC=C(C=C4)C(F)(F)F.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H14F3N5.C6H6O3S/c1-12-25-18(14-5-4-13-3-2-10-24-17(13)11-14)28-19(26-12)27-16-8-6-15(7-9-16)20(21,22)23;7-10(8,9)6-4-2-1-3-5-6/h2-11H,1H3,(H,25,26,27,28);1-5H,(H,7,8,9)