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

Systemtic Name: [2-[(2S)-2-aminocarbonyl-4,4-bis(fluoranyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] benzenesulfonate Openeye Name: [2-[(2S)-2-carbamoyl-4,4-difluoro-pyrrolidin-1-yl]-2-oxo-ethyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(2S)-2-carbamoyl-4,4-difluoro-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(2S)-2-carbamoyl-4,4-difluoro-pyrrolidino]-2-keto-ethyl] ester Formula: C13H14F2N2O5S MolecularWeight: 348.322466

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H14F2N2O5S/c14-13(15)6-10(12(16)19)17(8-13)11(18)7-22-23(20,21)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,16,19)/t10-/m0/s1