[2-[(2S,4S)-2-aminocarbonyl-4-fluoranyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl] benzenesulfonate

Systemtic Name: [2-[(2S,4S)-2-aminocarbonyl-4-fluoranyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl] benzenesulfonate Openeye Name: [2-[(2S,4S)-2-carbamoyl-4-fluoro-pyrrolidin-1-yl]-2-oxo-ethyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(2S,4S)-2-carbamoyl-4-fluoro-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,4S)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-2-oxoethyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(2S,4S)-2-carbamoyl-4-fluoro-pyrrolidino]-2-keto-ethyl] ester Formula: C13H15FN2O5S MolecularWeight: 330.332003

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N)C(=O)COS(=O)(=O)C2=CC=CC=C2)F

Isomeric SMILES

C1[C@@H](CN([C@@H]1C(=O)N)C(=O)COS(=O)(=O)C2=CC=CC=C2)F

InChI

InChI=1S/C13H15FN2O5S/c14-9-6-11(13(15)18)16(7-9)12(17)8-21-22(19,20)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H2,15,18)/t9-,11-/m0/s1