1-(2-methylsulfonylphenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-methylsulfonylphenyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-methylsulfonylphenyl)piperidine-4-carboxylic acid CAS Name: 1-(2-methylsulfonylphenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2-methylsulfonylphenyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-mesylphenyl)isonipecotic acid Formula: C13H17NO4S MolecularWeight: 283.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1N2CCC(CC2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1N2CCC(CC2)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-19(17,18)12-5-3-2-4-11(12)14-8-6-10(7-9-14)13(15)16/h2-5,10H,6-9H2,1H3,(H,15,16)