2-bromanyl-5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[[2-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-bromo-5-[[2-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-(2-methylolpiperidino)sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CCN(C(C1)CO)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H16BrNO5S/c14-12-5-4-10(7-11(12)13(17)18)21(19,20)15-6-2-1-3-9(15)8-16/h4-5,7,9,16H,1-3,6,8H2,(H,17,18)