3-bromanyl-4-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 3-bromanyl-4-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 3-bromo-4-[[2-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-bromo-4-[[2-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-bromo-4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-bromo-4-(2-methylolpiperidino)sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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