2-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 2-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 2-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-(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=C2C(=O)O)CO

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2C(=O)O)CO

InChI

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