3-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-(3-methylolpiperidino)sulfonylbenzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c15-9-10-3-2-6-14(8-10)20(18,19)12-5-1-4-11(7-12)13(16)17/h1,4-5,7,10,15H,2-3,6,8-9H2,(H,16,17)