1-(2-chloranyl-5-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(2-chloranyl-5-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid Openeye Name: 1-(2-chloro-5-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid CAS Name: 1-(2-chloro-5-methyl-4-methylsulfonylphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(2-chloro-5-methyl-4-methylsulfonylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(2-chloro-4-mesyl-5-methyl-phenyl)nipecotic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)C)Cl)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)C)Cl)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H18ClNO4S/c1-9-6-12(11(15)7-13(9)21(2,19)20)16-5-3-4-10(8-16)14(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)