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

Systemtic Name: 3-bromanyl-4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 3-bromo-4-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-bromo-4-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-bromo-4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-bromo-4-(3-methylolpiperidino)sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO5S/c14-11-6-10(13(17)18)3-4-12(11)21(19,20)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8H2,(H,17,18)