(4-acetamidophenyl) 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonate

Systemtic Name: (4-acetamidophenyl) 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonate Openeye Name: (4-acetamidophenyl) 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]benzenesulfonate CAS Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonate Traditional Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]benzenesulfonic acid (4-acetamidophenyl) ester Formula: C20H14ClF3N2O5S MolecularWeight: 486.84877

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H14ClF3N2O5S/c1-12(27)26-14-2-4-16(5-3-14)31-32(28,29)17-8-6-15(7-9-17)30-19-18(21)10-13(11-25-19)20(22,23)24/h2-11H,1H3,(H,26,27)