(1,4,4-trimethyl-5-oxidanylidene-pyrrolidin-3-yl) 4-fluoranylbenzenesulfonate

Systemtic Name: (1,4,4-trimethyl-5-oxidanylidene-pyrrolidin-3-yl) 4-fluoranylbenzenesulfonate Openeye Name: (1,4,4-trimethyl-5-oxo-pyrrolidin-3-yl) 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid (1,4,4-trimethyl-5-oxo-3-pyrrolidinyl) ester IUPAC Name: (1,4,4-trimethyl-5-oxopyrrolidin-3-yl) 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid (5-keto-1,4,4-trimethyl-pyrrolidin-3-yl) ester Formula: C13H16FNO4S MolecularWeight: 301.333843

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CN(C1=O)C)OS(=O)(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CC1(C(CN(C1=O)C)OS(=O)(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C13H16FNO4S/c1-13(2)11(8-15(3)12(13)16)19-20(17,18)10-6-4-9(14)5-7-10/h4-7,11H,8H2,1-3H3