(2S)-1-(4-methylsulfonylphenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(4-methylsulfonylphenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(4-methylsulfonylphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(4-mesylbenzoyl)proline Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C13H15NO5S/c1-20(18,19)10-6-4-9(5-7-10)12(15)14-8-2-3-11(14)13(16)17/h4-7,11H,2-3,8H2,1H3,(H,16,17)/t11-/m0/s1