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

Systemtic Name: 4-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzoic acid Openeye Name: 4-[[3-(hydroxymethyl)-1-piperidyl]sulfonylmethyl]benzoic acid CAS Name: 4-[[3-(hydroxymethyl)-1-piperidinyl]sulfonylmethyl]benzoic acid IUPAC Name: 4-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzoic acid Traditional Name: 4-[(3-methylolpiperidino)sulfonylmethyl]benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c16-9-12-2-1-7-15(8-12)21(19,20)10-11-3-5-13(6-4-11)14(17)18/h3-6,12,16H,1-2,7-10H2,(H,17,18)