trifluoromethyl 4-[5-cyano-6-methoxy-3-(phenylsulfonylamino)pyridin-2-yl]benzoate

Systemtic Name: trifluoromethyl 4-[5-cyano-6-methoxy-3-(phenylsulfonylamino)pyridin-2-yl]benzoate Openeye Name: trifluoromethyl 4-[3-(benzenesulfonamido)-5-cyano-6-methoxy-2-pyridyl]benzoate CAS Name: 4-[3-(benzenesulfonamido)-5-cyano-6-methoxy-2-pyridinyl]benzoic acid trifluoromethyl ester IUPAC Name: trifluoromethyl 4-[3-(benzenesulfonamido)-5-cyano-6-methoxypyridin-2-yl]benzoate Traditional Name: 4-[3-(benzenesulfonamido)-5-cyano-6-methoxy-2-pyridyl]benzoic acid trifluoromethyl ester Formula: C21H14F3N3O5S MolecularWeight: 477.41317

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC(F)(F)F

Isomeric SMILES

COC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC(F)(F)F

InChI

InChI=1S/C21H14F3N3O5S/c1-31-19-15(12-25)11-17(27-33(29,30)16-5-3-2-4-6-16)18(26-19)13-7-9-14(10-8-13)20(28)32-21(22,23)24/h2-11,27H,1H3