5-bromanyl-4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-4-(3-methylolpiperidino)sulfonyl-2-thenoic acid Formula: C11H14BrNO5S2 MolecularWeight: 384.26656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO5S2/c12-10-9(4-8(19-10)11(15)16)20(17,18)13-3-1-2-7(5-13)6-14/h4,7,14H,1-3,5-6H2,(H,15,16)