5-[3,4-bis(oxidanyl)piperidin-1-yl]sulfonyl-2-chloranyl-benzoic acid

Systemtic Name: 5-[3,4-bis(oxidanyl)piperidin-1-yl]sulfonyl-2-chloranyl-benzoic acid Openeye Name: 2-chloro-5-[(3,4-dihydroxy-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-chloro-5-[(3,4-dihydroxy-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-(3,4-dihydroxypiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-chloro-5-(3,4-dihydroxypiperidino)sulfonyl-benzoic acid Formula: C12H14ClNO6S MolecularWeight: 335.76066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1O)O)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CN(CC(C1O)O)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H14ClNO6S/c13-9-2-1-7(5-8(9)12(17)18)21(19,20)14-4-3-10(15)11(16)6-14/h1-2,5,10-11,15-16H,3-4,6H2,(H,17,18)