2,6-bis(fluoranyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2,6-bis(fluoranyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2,6-difluoro-3-(3-oxopiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2,6-difluoro-3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 2,6-difluoro-3-(3-oxopiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2,6-difluoro-3-(3-ketopiperazino)sulfonyl-benzoic acid Formula: C11H10F2N2O5S MolecularWeight: 320.269306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10F2N2O5S/c12-6-1-2-7(10(13)9(6)11(17)18)21(19,20)15-4-3-14-8(16)5-15/h1-2H,3-5H2,(H,14,16)(H,17,18)