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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S2/c1-22(18,19)10-6-7-11(13(9-10)23(2,20)21)15-8-4-3-5-12(15)14(16)17/h6-7,9,12H,3-5,8H2,1-2H3,(H,16,17)