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

Systemtic Name: [6-[3-methyl-1-(triphenylmethyl)pyrazol-4-yl]quinolin-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-(3-methyl-1-trityl-pyrazol-4-yl)-4-quinolyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-[3-methyl-1-(triphenylmethyl)-4-pyrazolyl]-4-quinolinyl] ester IUPAC Name: [6-(3-methyl-1-tritylpyrazol-4-yl)quinolin-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-(3-methyl-1-trityl-pyrazol-4-yl)-4-quinolyl] ester Formula: C33H24F3N3O3S MolecularWeight: 599.62217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=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=NN(C=C1C2=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/C33H24F3N3O3S/c1-23-29(24-17-18-30-28(21-24)31(19-20-37-30)42-43(40,41)33(34,35)36)22-39(38-23)32(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-22H,1H3