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

Systemtic Name: benzenesulfonic acid; [4-quinolin-7-yl-6-[[4-(trifluoromethyl)phenyl]amino]pyrimidin-2-yl]methanol Openeye Name: benzenesulfonic acid; [4-(7-quinolyl)-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]methanol CAS Name: benzenesulfonic acid; [4-(7-quinolinyl)-6-[4-(trifluoromethyl)anilino]-2-pyrimidinyl]methanol IUPAC Name: benzenesulfonic acid; [4-quinolin-7-yl-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]methanol Traditional Name: besylic acid; [4-(7-quinolyl)-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]methanol Formula: C27H21F3N4O4S MolecularWeight: 554.54025

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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)CO)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)CO)NC4=CC=C(C=C4)C(F)(F)F)N=C1

InChI

InChI=1S/C21H15F3N4O.C6H6O3S/c22-21(23,24)15-5-7-16(8-6-15)26-19-11-18(27-20(12-29)28-19)14-4-3-13-2-1-9-25-17(13)10-14;7-10(8,9)6-4-2-1-3-5-6/h1-11,29H,12H2,(H,26,27,28);1-5H,(H,7,8,9)