1-(3-methylsulfonylphenyl)carbonylpiperidine-2-carboxylic acid

Systemtic Name: 1-(3-methylsulfonylphenyl)carbonylpiperidine-2-carboxylic acid Openeye Name: 1-(3-methylsulfonylbenzoyl)piperidine-2-carboxylic acid CAS Name: 1-[(3-methylsulfonylphenyl)-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-(3-methylsulfonylbenzoyl)piperidine-2-carboxylic acid Traditional Name: 1-(3-mesylbenzoyl)pipecolinic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-21(19,20)11-6-4-5-10(9-11)13(16)15-8-3-2-7-12(15)14(17)18/h4-6,9,12H,2-3,7-8H2,1H3,(H,17,18)