3-bromanyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3-bromanyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-bromo-4-(3-oxopiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 3-bromo-4-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 3-bromo-4-(3-oxopiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 3-bromo-4-(3-ketopiperazino)sulfonyl-benzoic acid Formula: C11H11BrN2O5S MolecularWeight: 363.18444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11BrN2O5S/c12-8-5-7(11(16)17)1-2-9(8)20(18,19)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6H2,(H,13,15)(H,16,17)