benzenesulfonic acid; 6-(8-ethylquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 6-(8-ethylquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 6-(8-ethyl-7-quinolyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 6-(8-ethyl-7-quinolinyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 6-(8-ethylquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [6-(8-ethyl-7-quinolyl)-5-methyl-pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C29H25F3N4O3S MolecularWeight: 566.59401

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1N=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=C(C=CC2=C1N=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C23H19F3N4.C6H6O3S/c1-3-18-19(11-6-15-5-4-12-27-21(15)18)20-14(2)22(29-13-28-20)30-17-9-7-16(8-10-17)23(24,25)26;7-10(8,9)6-4-2-1-3-5-6/h4-13H,3H2,1-2H3,(H,28,29,30);1-5H,(H,7,8,9)