1-(2-chloranyl-5-methyl-4-methylsulfonyl-phenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-chloranyl-5-methyl-4-methylsulfonyl-phenyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-chloro-5-methyl-4-methylsulfonyl-phenyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2-chloro-5-methyl-4-methylsulfonylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-chloro-5-methyl-4-methylsulfonylphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2-chloro-4-mesyl-5-methyl-phenyl)proline Formula: C13H16ClNO4S MolecularWeight: 317.78844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)C)Cl)N2CCCC2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)C)Cl)N2CCCC2C(=O)O

InChI

InChI=1S/C13H16ClNO4S/c1-8-6-11(9(14)7-12(8)20(2,18)19)15-5-3-4-10(15)13(16)17/h6-7,10H,3-5H2,1-2H3,(H,16,17)