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

Systemtic Name: benzenesulfonic acid; 4-quinolin-7-yl-6-[[4-(trifluoromethyl)phenyl]amino]pyrimidine-2-carbonitrile Openeye Name: benzenesulfonic acid; 4-(7-quinolyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-2-carbonitrile CAS Name: benzenesulfonic acid; 4-(7-quinolinyl)-6-[4-(trifluoromethyl)anilino]-2-pyrimidinecarbonitrile IUPAC Name: benzenesulfonic acid; 4-quinolin-7-yl-6-[4-(trifluoromethyl)anilino]pyrimidine-2-carbonitrile Traditional Name: besylic acid; 4-(7-quinolyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-2-carbonitrile Formula: C27H18F3N5O3S MolecularWeight: 549.52373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12F3N5.C6H6O3S/c22-21(23,24)15-5-7-16(8-6-15)27-19-11-18(28-20(12-25)29-19)14-4-3-13-2-1-9-26-17(13)10-14;7-10(8,9)6-4-2-1-3-5-6/h1-11H,(H,27,28,29);1-5H,(H,7,8,9)