5-chloranyl-2-fluoranyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 5-chloranyl-2-fluoranyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 5-chloro-2-fluoro-3-(3-oxopiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 5-chloro-2-fluoro-3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 5-chloro-2-fluoro-3-(3-oxopiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 5-chloro-2-fluoro-3-(3-ketopiperazino)sulfonyl-benzoic acid Formula: C11H10ClFN2O5S MolecularWeight: 336.723903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=C(C(=CC(=C2)Cl)C(=O)O)F

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=C(C(=CC(=C2)Cl)C(=O)O)F

InChI

InChI=1S/C11H10ClFN2O5S/c12-6-3-7(11(17)18)10(13)8(4-6)21(19,20)15-2-1-14-9(16)5-15/h3-4H,1-2,5H2,(H,14,16)(H,17,18)