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

Systemtic Name: 1-(3-methylsulfonylphenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(3-methylsulfonylbenzoyl)piperidine-3-carboxylic acid CAS Name: 1-[(3-methylsulfonylphenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3-methylsulfonylbenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-(3-mesylbenzoyl)nipecotic 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)N2CCCC(C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-21(19,20)12-6-2-4-10(8-12)13(16)15-7-3-5-11(9-15)14(17)18/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,17,18)