1-(2-methyl-4-methylsulfonyl-phenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-4-methylsulfonyl-phenyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-4-methylsulfonyl-phenyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2-methyl-4-methylsulfonylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-4-methylsulfonylphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-mesyl-2-methyl-phenyl)proline Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C)N2CCCC2C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C)N2CCCC2C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-9-8-10(19(2,17)18)5-6-11(9)14-7-3-4-12(14)13(15)16/h5-6,8,12H,3-4,7H2,1-2H3,(H,15,16)