5-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-hydroxy-5-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-hydroxy-5-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-hydroxy-5-(3-methylolpiperidino)sulfonyl-benzoic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)CO

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)CO

InChI

InChI=1S/C13H17NO6S/c15-8-9-2-1-5-14(7-9)21(19,20)10-3-4-12(16)11(6-10)13(17)18/h3-4,6,9,15-16H,1-2,5,7-8H2,(H,17,18)