(3-cyano-6-methoxy-4-oxidanylidene-1H-quinolin-7-yl) 2,2,3-tris(fluoranyl)-1-methyl-4-propan-2-yl-cyclohexane-1-sulfonate

Systemtic Name: (3-cyano-6-methoxy-4-oxidanylidene-1H-quinolin-7-yl) 2,2,3-tris(fluoranyl)-1-methyl-4-propan-2-yl-cyclohexane-1-sulfonate Openeye Name: (3-cyano-6-methoxy-4-oxo-1H-quinolin-7-yl) 2,2,3-trifluoro-4-isopropyl-1-methyl-cyclohexanesulfonate CAS Name: 2,2,3-trifluoro-1-methyl-4-propan-2-yl-1-cyclohexanesulfonic acid (3-cyano-6-methoxy-4-oxo-1H-quinolin-7-yl) ester IUPAC Name: (3-cyano-6-methoxy-4-oxo-1H-quinolin-7-yl) 2,2,3-trifluoro-1-methyl-4-propan-2-ylcyclohexane-1-sulfonate Traditional Name: 2,2,3-trifluoro-4-isopropyl-1-methyl-cyclohexanesulfonic acid (3-cyano-4-keto-6-methoxy-1H-quinolin-7-yl) ester Formula: C21H23F3N2O5S MolecularWeight: 472.47793

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(C(C1F)(F)F)(C)S(=O)(=O)OC2=C(C=C3C(=C2)NC=C(C3=O)C#N)OC

Isomeric SMILES

CC(C)C1CCC(C(C1F)(F)F)(C)S(=O)(=O)OC2=C(C=C3C(=C2)NC=C(C3=O)C#N)OC

InChI

InChI=1S/C21H23F3N2O5S/c1-11(2)13-5-6-20(3,21(23,24)19(13)22)32(28,29)31-17-8-15-14(7-16(17)30-4)18(27)12(9-25)10-26-15/h7-8,10-11,13,19H,5-6H2,1-4H3,(H,26,27)