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

Systemtic Name: [2-[(2S)-2-cyano-4,4-bis(fluoranyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] benzenesulfonate Openeye Name: [2-[(2S)-2-cyano-4,4-difluoro-pyrrolidin-1-yl]-2-oxo-ethyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(2S)-2-cyano-4,4-difluoro-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(2S)-2-cyano-4,4-difluoro-pyrrolidino]-2-keto-ethyl] ester Formula: C13H12F2N2O4S MolecularWeight: 330.307186

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC1(F)F)C(=O)COS(=O)(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

C1[C@H](N(CC1(F)F)C(=O)COS(=O)(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C13H12F2N2O4S/c14-13(15)6-10(7-16)17(9-13)12(18)8-21-22(19,20)11-4-2-1-3-5-11/h1-5,10H,6,8-9H2/t10-/m0/s1