benzenesulfonic acid; 5-methyl-4-quinolin-7-yl-6-[[4-(trifluoromethyl)phenyl]amino]pyrimidine-2-carbonitrile

Systemtic Name: benzenesulfonic acid; 5-methyl-4-quinolin-7-yl-6-[[4-(trifluoromethyl)phenyl]amino]pyrimidine-2-carbonitrile Openeye Name: benzenesulfonic acid; 5-methyl-4-(7-quinolyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-2-carbonitrile CAS Name: benzenesulfonic acid; 5-methyl-4-(7-quinolinyl)-6-[4-(trifluoromethyl)anilino]-2-pyrimidinecarbonitrile IUPAC Name: benzenesulfonic acid; 5-methyl-4-quinolin-7-yl-6-[4-(trifluoromethyl)anilino]pyrimidine-2-carbonitrile Traditional Name: besylic acid; 5-methyl-4-(7-quinolyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-2-carbonitrile Formula: C28H20F3N5O3S MolecularWeight: 563.55031

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

InChI

InChI=1S/C22H14F3N5.C6H6O3S/c1-13-20(15-5-4-14-3-2-10-27-18(14)11-15)29-19(12-26)30-21(13)28-17-8-6-16(7-9-17)22(23,24)25;7-10(8,9)6-4-2-1-3-5-6/h2-11H,1H3,(H,28,29,30);1-5H,(H,7,8,9)