[2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C17H23FN2O5S MolecularWeight: 386.438323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C17H23FN2O5S/c1-17(2,3)19-15(21)11-25-16(22)13-8-6-10-20(13)26(23,24)14-9-5-4-7-12(14)18/h4-5,7,9,13H,6,8,10-11H2,1-3H3,(H,19,21)/t13-/m0/s1