[2-(phenylmethyl)-7-pyrazin-2-yl-quinolin-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(phenylmethyl)-7-pyrazin-2-yl-quinolin-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: (2-benzyl-7-pyrazin-2-yl-3-quinolyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(phenylmethyl)-7-(2-pyrazinyl)-3-quinolinyl] ester IUPAC Name: (2-benzyl-7-pyrazin-2-ylquinolin-3-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (2-benzyl-7-pyrazin-2-yl-3-quinolyl) ester Formula: C21H14F3N3O3S MolecularWeight: 445.41437

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C3C=CC(=CC3=N2)C4=NC=CN=C4)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C3C=CC(=CC3=N2)C4=NC=CN=C4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H14F3N3O3S/c22-21(23,24)31(28,29)30-20-12-16-7-6-15(19-13-25-8-9-26-19)11-17(16)27-18(20)10-14-4-2-1-3-5-14/h1-9,11-13H,10H2