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

Systemtic Name: 1-(2-chloranyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid Openeye Name: 1-(2-chloro-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid CAS Name: 1-(2-chloro-4-methylsulfonylphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(2-chloro-4-methylsulfonylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(2-chloro-4-mesyl-phenyl)nipecotic acid Formula: C13H16ClNO4S MolecularWeight: 317.78844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)O)Cl

InChI

InChI=1S/C13H16ClNO4S/c1-20(18,19)10-4-5-12(11(14)7-10)15-6-2-3-9(8-15)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)