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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c15-9-10-2-1-7-14(8-10)20(18,19)12-5-3-11(4-6-12)13(16)17/h3-6,10,15H,1-2,7-9H2,(H,16,17)