[(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(1R,2E)-2-hydroxyiminocyclopentyl]methyl] 4-methylbenzenesulfonate

Systemtic Name: [(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(1R,2E)-2-hydroxyiminocyclopentyl]methyl] 4-methylbenzenesulfonate Openeye Name: [(S)-[2,8-bis(trifluoromethyl)-4-quinolyl]-[(1R,2E)-2-hydroxyiminocyclopentyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(S)-[2,8-bis(trifluoromethyl)-4-quinolinyl]-[(1R,2E)-2-hydroxyiminocyclopentyl]methyl] ester IUPAC Name: [(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(1R,2E)-2-hydroxyiminocyclopentyl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(S)-[2,8-bis(trifluoromethyl)-4-quinolyl]-[(1R,2E)-2-hydroximinocyclopentyl]methyl] ester Formula: C24H20F6N2O4S MolecularWeight: 546.482019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCC2=NO)C3=CC(=NC4=C3C=CC=C4C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]([C@@H]\2CCC/C2=N\O)C3=CC(=NC4=C3C=CC=C4C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H20F6N2O4S/c1-13-8-10-14(11-9-13)37(34,35)36-22(16-5-3-7-19(16)32-33)17-12-20(24(28,29)30)31-21-15(17)4-2-6-18(21)23(25,26)27/h2,4,6,8-12,16,22,33H,3,5,7H2,1H3/b32-19+/t16-,22+/m1/s1