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

Systemtic Name: (5-oxidanylidenepyrrolidin-3-yl) 1-[6-(4-ethylphenoxy)pyridin-3-yl]ethanesulfonate Openeye Name: (5-oxopyrrolidin-3-yl) 1-[6-(4-ethylphenoxy)-3-pyridyl]ethanesulfonate CAS Name: 1-[6-(4-ethylphenoxy)-3-pyridinyl]ethanesulfonic acid (5-oxo-3-pyrrolidinyl) ester IUPAC Name: (5-oxopyrrolidin-3-yl) 1-[6-(4-ethylphenoxy)pyridin-3-yl]ethanesulfonate Traditional Name: 1-[6-(4-ethylphenoxy)-3-pyridyl]ethanesulfonic acid (5-ketopyrrolidin-3-yl) ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=C(C=C2)C(C)S(=O)(=O)OC3CC(=O)NC3

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=C(C=C2)C(C)S(=O)(=O)OC3CC(=O)NC3

InChI

InChI=1S/C19H22N2O5S/c1-3-14-4-7-16(8-5-14)25-19-9-6-15(11-21-19)13(2)27(23,24)26-17-10-18(22)20-12-17/h4-9,11,13,17H,3,10,12H2,1-2H3,(H,20,22)