[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] ester IUPAC Name: [4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] ester Formula: C20H15F3N2O5S MolecularWeight: 452.40371

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O5S/c1-13(26)25-15-3-9-18(10-4-15)31(27,28)30-17-7-5-16(6-8-17)29-19-11-2-14(12-24-19)20(21,22)23/h2-12H,1H3,(H,25,26)