[2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(2,5-difluorophenyl)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2,5-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-difluorophenyl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(2,5-difluorophenyl)-2-keto-ethyl] ester Formula: C19H17F2NO5S MolecularWeight: 409.403786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C19H17F2NO5S/c20-14-5-8-17(21)16(11-14)18(23)12-27-19(24)13-3-6-15(7-4-13)28(25,26)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2