1-(4-chloranyl-3-methylsulfonyl-phenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-chloranyl-3-methylsulfonyl-phenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(4-chloro-3-methylsulfonyl-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-chloro-3-methylsulfonylphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-chloro-3-methylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-chloro-3-mesyl-benzoyl)proline Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO5S/c1-21(19,20)11-7-8(4-5-9(11)14)12(16)15-6-2-3-10(15)13(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,17,18)