5-bromanyl-4-(4-ethanoylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-(4-ethanoylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-5-bromo-thiophene-2-carboxylic acid CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]-5-bromo-2-thiophenecarboxylic acid IUPAC Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-5-bromothiophene-2-carboxylic acid Traditional Name: 4-(4-acetylpiperazino)sulfonyl-5-bromo-2-thenoic acid Formula: C11H13BrN2O5S2 MolecularWeight: 397.26532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

InChI

InChI=1S/C11H13BrN2O5S2/c1-7(15)13-2-4-14(5-3-13)21(18,19)9-6-8(11(16)17)20-10(9)12/h6H,2-5H2,1H3,(H,16,17)