1-(4-methylsulfonylphenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(4-methylsulfonylphenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(4-methylsulfonylbenzoyl)piperidine-3-carboxylic acid CAS Name: 1-[(4-methylsulfonylphenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-methylsulfonylbenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-mesylbenzoyl)nipecotic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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