4-[(3-oxidanylpiperidin-1-yl)sulfonylmethyl]benzoic acid

Systemtic Name: 4-[(3-oxidanylpiperidin-1-yl)sulfonylmethyl]benzoic acid Openeye Name: 4-[(3-hydroxy-1-piperidyl)sulfonylmethyl]benzoic acid CAS Name: 4-[(3-hydroxy-1-piperidinyl)sulfonylmethyl]benzoic acid IUPAC Name: 4-[(3-hydroxypiperidin-1-yl)sulfonylmethyl]benzoic acid Traditional Name: 4-[(3-hydroxypiperidino)sulfonylmethyl]benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C13H17NO5S/c15-12-2-1-7-14(8-12)20(18,19)9-10-3-5-11(6-4-10)13(16)17/h3-6,12,15H,1-2,7-9H2,(H,16,17)