1-[2,4-bis(methylsulfonyl)phenyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,4-bis(methylsulfonyl)phenyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2,4-bis(methylsulfonyl)phenyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2,4-bis(methylsulfonyl)phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2,4-bis(methylsulfonyl)phenyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(2,4-dimesylphenyl)proline Formula: C13H17NO6S2 MolecularWeight: 347.40718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S2/c1-21(17,18)9-5-6-10(12(8-9)22(2,19)20)14-7-3-4-11(14)13(15)16/h5-6,8,11H,3-4,7H2,1-2H3,(H,15,16)