benzenesulfonic acid; 2-(pyridin-3-ylmethoxy)-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 2-(pyridin-3-ylmethoxy)-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 2-(3-pyridylmethoxy)-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 2-(3-pyridinylmethoxy)-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 2-(pyridin-3-ylmethoxy)-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [2-(3-pyridylmethoxy)-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C32H24F3N5O4S MolecularWeight: 631.62427

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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)OCC4=CN=CC=C4)NC5=CC=C(C=C5)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)OCC4=CN=CC=C4)NC5=CC=C(C=C5)C(F)(F)F)N=C1

InChI

InChI=1S/C26H18F3N5O.C6H6O3S/c27-26(28,29)20-7-9-21(10-8-20)32-24-14-23(19-6-5-18-4-2-12-31-22(18)13-19)33-25(34-24)35-16-17-3-1-11-30-15-17;7-10(8,9)6-4-2-1-3-5-6/h1-15H,16H2,(H,32,33,34);1-5H,(H,7,8,9)