(2S,4S)-4-(4-chloranylphenoxy)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid

Systemtic Name: (2S,4S)-4-(4-chloranylphenoxy)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid Openeye Name: (2S,4S)-4-(4-chlorophenoxy)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid CAS Name: (2S,4S)-4-(4-chlorophenoxy)-2-(methylsulfonyloxymethyl)-1-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-(4-chlorophenoxy)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid Traditional Name: (2S,4S)-4-(4-chlorophenoxy)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid Formula: C13H16ClNO6S MolecularWeight: 349.78724

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1CC(CN1C(=O)O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)OC[C@@H]1C[C@@H](CN1C(=O)O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClNO6S/c1-22(18,19)20-8-10-6-12(7-15(10)13(16)17)21-11-4-2-9(14)3-5-11/h2-5,10,12H,6-8H2,1H3,(H,16,17)/t10-,12-/m0/s1