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

Systemtic Name: 1-(2-methyl-4-methylsulfonyl-phenyl)piperidine-2-carboxylic acid Openeye Name: 1-(2-methyl-4-methylsulfonyl-phenyl)piperidine-2-carboxylic acid CAS Name: 1-(2-methyl-4-methylsulfonylphenyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid Traditional Name: 1-(4-mesyl-2-methyl-phenyl)pipecolinic acid Formula: C14H19NO4S MolecularWeight: 297.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C)N2CCCCC2C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C)N2CCCCC2C(=O)O

InChI

InChI=1S/C14H19NO4S/c1-10-9-11(20(2,18)19)6-7-12(10)15-8-4-3-5-13(15)14(16)17/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,17)