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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CN(CCC1CO)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H19NO5S/c16-9-11-4-6-15(7-5-11)21(19,20)10-12-2-1-3-13(8-12)14(17)18/h1-3,8,11,16H,4-7,9-10H2,(H,17,18)