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

Systemtic Name: 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-(4-methylolpiperidino)sulfonylbenzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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