1-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-(3,5-dichloro-2-hydroxy-phenyl)sulfonylpiperidine-3-carboxylic acid CAS Name: 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-(3,5-dichloro-2-hydroxyphenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-(3,5-dichloro-2-hydroxy-phenyl)sulfonylnipecotic acid Formula: C12H13Cl2NO5S MolecularWeight: 354.20632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=CC(=C2O)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC(=CC(=C2O)Cl)Cl)C(=O)O

InChI

InChI=1S/C12H13Cl2NO5S/c13-8-4-9(14)11(16)10(5-8)21(19,20)15-3-1-2-7(6-15)12(17)18/h4-5,7,16H,1-3,6H2,(H,17,18)