[2-[(4-methoxyphenyl)methylamino]quinolin-6-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]quinolin-6-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-6-quinolyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-[(4-methoxyphenyl)methylamino]-6-quinolinyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]quinolin-6-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-(p-anisylamino)-6-quinolyl] ester Formula: C18H15F3N2O4S MolecularWeight: 412.38291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC3=C(C=C2)C=C(C=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC3=C(C=C2)C=C(C=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O4S/c1-26-14-5-2-12(3-6-14)11-22-17-9-4-13-10-15(7-8-16(13)23-17)27-28(24,25)18(19,20)21/h2-10H,11H2,1H3,(H,22,23)