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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S2/c1-22(18,19)11-3-4-12(13(9-11)23(2,20)21)15-7-5-10(6-8-15)14(16)17/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)