1-(3-methylsulfonylphenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-methylsulfonylphenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-(3-methylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[(3-methylsulfonylphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-(3-methylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-(3-mesylbenzoyl)proline Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)O)O

InChI

InChI=1S/C13H15NO6S/c1-21(19,20)10-4-2-3-8(5-10)12(16)14-7-9(15)6-11(14)13(17)18/h2-5,9,11,15H,6-7H2,1H3,(H,17,18)