1-(phenylsulfonyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(phenylsulfonyl)piperidine-3-carboxylic acid Openeye Name: 1-(benzenesulfonyl)piperidine-3-carboxylic acid CAS Name: 1-(benzenesulfonyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)piperidine-3-carboxylic acid Traditional Name: 1-besylnipecotic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H15NO4S/c14-12(15)10-5-4-8-13(9-10)18(16,17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,14,15)