methyl 4,4-bis(fluoranyl)-1-(phenylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 4,4-bis(fluoranyl)-1-(phenylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-4,4-difluoro-pyrrolidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-4,4-difluoro-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-4,4-difluoropyrrolidine-2-carboxylate Traditional Name: 1-besyl-4,4-difluoro-pyrrolidine-2-carboxylic acid methyl ester Formula: C12H13F2NO4S MolecularWeight: 305.297726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1S(=O)(=O)C2=CC=CC=C2)(F)F

Isomeric SMILES

COC(=O)C1CC(CN1S(=O)(=O)C2=CC=CC=C2)(F)F

InChI

InChI=1S/C12H13F2NO4S/c1-19-11(16)10-7-12(13,14)8-15(10)20(17,18)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3