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

Systemtic Name: benzenesulfonic acid; 5-methyl-2-propan-2-yl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 2-isopropyl-5-methyl-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-methyl-2-propan-2-yl-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-methyl-2-propan-2-yl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [2-isopropyl-5-methyl-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C30H27F3N4O3S MolecularWeight: 580.62059

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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)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)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H21F3N4.C6H6O3S/c1-14(2)22-30-21(17-7-6-16-5-4-12-28-20(16)13-17)15(3)23(31-22)29-19-10-8-18(9-11-19)24(25,26)27;7-10(8,9)6-4-2-1-3-5-6/h4-14H,1-3H3,(H,29,30,31);1-5H,(H,7,8,9)