benzenesulfonic acid; 2-tert-butyl-5-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 2-tert-butyl-5-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 2-tert-butyl-5-methyl-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 2-tert-butyl-5-methyl-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 2-tert-butyl-5-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [2-tert-butyl-5-methyl-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C31H29F3N4O3S MolecularWeight: 594.64717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NC2=CC=C(C=C2)C(F)(F)F)C(C)(C)C)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=C(N=C1NC2=CC=C(C=C2)C(F)(F)F)C(C)(C)C)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C25H23F3N4.C6H6O3S/c1-15-21(17-8-7-16-6-5-13-29-20(16)14-17)31-23(24(2,3)4)32-22(15)30-19-11-9-18(10-12-19)25(26,27)28;7-10(8,9)6-4-2-1-3-5-6/h5-14H,1-4H3,(H,30,31,32);1-5H,(H,7,8,9)