(3,3-dimethyl-2-oxidanylidene-butyl) (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H22FNO6S MolecularWeight: 387.423083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)[C@@H]1C[C@@H](CN1S(=O)(=O)C2=CC=C(C=C2)F)O

InChI

InChI=1S/C17H22FNO6S/c1-17(2,3)15(21)10-25-16(22)14-8-12(20)9-19(14)26(23,24)13-6-4-11(18)5-7-13/h4-7,12,14,20H,8-10H2,1-3H3/t12-,14-/m0/s1