1-(4-chloranyl-2-methylsulfonyl-phenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-chloranyl-2-methylsulfonyl-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-chloro-2-methylsulfonyl-phenyl)piperidine-4-carboxylic acid CAS Name: 1-(4-chloro-2-methylsulfonylphenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4-chloro-2-methylsulfonylphenyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-chloro-2-mesyl-phenyl)isonipecotic acid Formula: C13H16ClNO4S MolecularWeight: 317.78844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4S/c1-20(18,19)12-8-10(14)2-3-11(12)15-6-4-9(5-7-15)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)