[6-[5-methyl-2-(triphenylmethyl)-3H-pyrazol-1-yl]quinolin-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-[5-methyl-2-(triphenylmethyl)-3H-pyrazol-1-yl]quinolin-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-(5-methyl-2-trityl-3H-pyrazol-1-yl)-4-quinolyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-[5-methyl-2-(triphenylmethyl)-3H-pyrazol-1-yl]-4-quinolinyl] ester IUPAC Name: [6-(5-methyl-2-trityl-3H-pyrazol-1-yl)quinolin-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-(5-methyl-2-trityl-3-pyrazolin-1-yl)-4-quinolyl] ester Formula: C33H26F3N3O3S MolecularWeight: 601.63805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCN(N1C2=CC3=C(C=CN=C3C=C2)OS(=O)(=O)C(F)(F)F)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CCN(N1C2=CC3=C(C=CN=C3C=C2)OS(=O)(=O)C(F)(F)F)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H26F3N3O3S/c1-24-20-22-38(32(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27)39(24)28-17-18-30-29(23-28)31(19-21-37-30)42-43(40,41)33(34,35)36/h2-21,23H,22H2,1H3