2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 2-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-(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=C2C(=O)O

Isomeric SMILES

C1CN(CCC1CO)S(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

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