[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(difluoromethylsulfanyl)benzoate CAS Name: 2-(difluoromethylthio)benzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(difluoromethylsulfanyl)benzoate Traditional Name: 2-(difluoromethylthio)benzoic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C20H19F2NO5S2 MolecularWeight: 455.495366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3SC(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3SC(F)F

InChI

InChI=1S/C20H19F2NO5S2/c21-20(22)29-18-6-2-1-5-16(18)19(25)28-13-17(24)14-7-9-15(10-8-14)30(26,27)23-11-3-4-12-23/h1-2,5-10,20H,3-4,11-13H2