5-bromanyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-(3-oxopiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[(3-oxo-1-piperazinyl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-(3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-4-(3-ketopiperazino)sulfonyl-2-thenoic acid Formula: C9H9BrN2O5S2 MolecularWeight: 369.21216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

InChI

InChI=1S/C9H9BrN2O5S2/c10-8-6(3-5(18-8)9(14)15)19(16,17)12-2-1-11-7(13)4-12/h3H,1-2,4H2,(H,11,13)(H,14,15)