2-bromanyl-5-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-bromo-5-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-(3-methylolpiperidino)sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO5S/c14-12-4-3-10(6-11(12)13(17)18)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)