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

Systemtic Name: benzenesulfonic acid; 5-methyl-2-methylsulfonyl-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-methyl-2-methylsulfonyl-6-(7-quinolyl)-N-[5-(trifluoromethyl)-2-pyridyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-methyl-2-methylsulfonyl-6-(7-quinolinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-methyl-2-methylsulfonyl-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Traditional Name: besylic acid; [2-mesyl-5-methyl-6-(7-quinolyl)pyrimidin-4-yl]-[5-(trifluoromethyl)-2-pyridyl]amine Formula: C27H22F3N5O5S2 MolecularWeight: 617.61929

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H16F3N5O2S.C6H6O3S/c1-12-18(14-6-5-13-4-3-9-25-16(13)10-14)28-20(32(2,30)31)29-19(12)27-17-8-7-15(11-26-17)21(22,23)24;7-10(8,9)6-4-2-1-3-5-6/h3-11H,1-2H3,(H,26,27,28,29);1-5H,(H,7,8,9)