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

Systemtic Name: 1-(3-methylsulfonylphenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-methylsulfonylbenzoyl)piperidine-4-carboxylic acid CAS Name: 1-[(3-methylsulfonylphenyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3-methylsulfonylbenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(3-mesylbenzoyl)isonipecotic 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)N2CCC(CC2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)O

InChI

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