1-(4-chloranyl-2-methylsulfonyl-phenyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(4-chloranyl-2-methylsulfonyl-phenyl)piperidine-2-carboxylic acid Openeye Name: 1-(4-chloro-2-methylsulfonyl-phenyl)piperidine-2-carboxylic acid CAS Name: 1-(4-chloro-2-methylsulfonylphenyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(4-chloro-2-methylsulfonylphenyl)piperidine-2-carboxylic acid Traditional Name: 1-(4-chloro-2-mesyl-phenyl)pipecolinic acid Formula: C13H16ClNO4S MolecularWeight: 317.78844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)Cl)N2CCCCC2C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)Cl)N2CCCCC2C(=O)O

InChI

InChI=1S/C13H16ClNO4S/c1-20(18,19)12-8-9(14)5-6-10(12)15-7-3-2-4-11(15)13(16)17/h5-6,8,11H,2-4,7H2,1H3,(H,16,17)