(5-oxidanylidenepyrrolidin-3-yl) 1-[6-(4-fluoranylphenoxy)pyridin-3-yl]ethanesulfonate

Systemtic Name: (5-oxidanylidenepyrrolidin-3-yl) 1-[6-(4-fluoranylphenoxy)pyridin-3-yl]ethanesulfonate Openeye Name: (5-oxopyrrolidin-3-yl) 1-[6-(4-fluorophenoxy)-3-pyridyl]ethanesulfonate CAS Name: 1-[6-(4-fluorophenoxy)-3-pyridinyl]ethanesulfonic acid (5-oxo-3-pyrrolidinyl) ester IUPAC Name: (5-oxopyrrolidin-3-yl) 1-[6-(4-fluorophenoxy)pyridin-3-yl]ethanesulfonate Traditional Name: 1-[6-(4-fluorophenoxy)-3-pyridyl]ethanesulfonic acid (5-ketopyrrolidin-3-yl) ester Formula: C17H17FN2O5S MolecularWeight: 380.390683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=C(C=C1)OC2=CC=C(C=C2)F)S(=O)(=O)OC3CC(=O)NC3

Isomeric SMILES

CC(C1=CN=C(C=C1)OC2=CC=C(C=C2)F)S(=O)(=O)OC3CC(=O)NC3

InChI

InChI=1S/C17H17FN2O5S/c1-11(26(22,23)25-15-8-16(21)19-10-15)12-2-7-17(20-9-12)24-14-5-3-13(18)4-6-14/h2-7,9,11,15H,8,10H2,1H3,(H,19,21)