(2S)-1-(2-bromophenyl)carbonyl-4-methylsulfonyloxy-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(2-bromophenyl)carbonyl-4-methylsulfonyloxy-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(2-bromobenzoyl)-4-methylsulfonyloxy-pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2-bromophenyl)-oxomethyl]-4-methylsulfonyloxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(2-bromobenzoyl)-4-methylsulfonyloxypyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(2-bromobenzoyl)-4-methylsulfonyloxy-proline Formula: C13H14BrNO6S MolecularWeight: 392.22236

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)C2=CC=CC=C2Br)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1C[C@H](N(C1)C(=O)C2=CC=CC=C2Br)C(=O)O

InChI

InChI=1S/C13H14BrNO6S/c1-22(19,20)21-8-6-11(13(17)18)15(7-8)12(16)9-4-2-3-5-10(9)14/h2-5,8,11H,6-7H2,1H3,(H,17,18)/t8?,11-/m0/s1