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

Systemtic Name: 1-(4-methylsulfonylphenyl)piperidine-3-carboxylic acid Openeye Name: 1-(4-methylsulfonylphenyl)piperidine-3-carboxylic acid CAS Name: 1-(4-methylsulfonylphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(4-methylsulfonylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-mesylphenyl)nipecotic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-19(17,18)12-6-4-11(5-7-12)14-8-2-3-10(9-14)13(15)16/h4-7,10H,2-3,8-9H2,1H3,(H,15,16)