1-[2,4-bis(methylsulfonyl)phenyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(methylsulfonyl)phenyl]piperidine-3-carboxylic acid Openeye Name: 1-[2,4-bis(methylsulfonyl)phenyl]piperidine-3-carboxylic acid CAS Name: 1-[2,4-bis(methylsulfonyl)phenyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2,4-bis(methylsulfonyl)phenyl]piperidine-3-carboxylic acid Traditional Name: 1-(2,4-dimesylphenyl)nipecotic acid Formula: C14H19NO6S2 MolecularWeight: 361.43376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S2/c1-22(18,19)11-5-6-12(13(8-11)23(2,20)21)15-7-3-4-10(9-15)14(16)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17)