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

Systemtic Name: [2-[(2S,4S)-2-cyano-4-fluoranyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl] benzenesulfonate Openeye Name: [2-[(2S,4S)-2-cyano-4-fluoro-pyrrolidin-1-yl]-2-oxo-ethyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(2S,4S)-2-cyano-4-fluoro-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(2S,4S)-2-cyano-4-fluoro-pyrrolidino]-2-keto-ethyl] ester Formula: C13H13FN2O4S MolecularWeight: 312.316723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN2O4S/c14-10-6-11(7-15)16(8-10)13(17)9-20-21(18,19)12-4-2-1-3-5-12/h1-5,10-11H,6,8-9H2/t10-,11-/m0/s1