5-bromanyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-4-[4-(2-hydroxyethyl)piperazino]sulfonyl-2-thenoic acid Formula: C11H15BrN2O5S2 MolecularWeight: 399.2812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

Isomeric SMILES

C1CN(CCN1CCO)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

InChI

InChI=1S/C11H15BrN2O5S2/c12-10-9(7-8(20-10)11(16)17)21(18,19)14-3-1-13(2-4-14)5-6-15/h7,15H,1-6H2,(H,16,17)