3-(2-azanyl-2-oxidanylidene-ethyl)sulfonyl-2,6-bis(fluoranyl)benzoic acid

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfonyl-2,6-bis(fluoranyl)benzoic acid Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfonyl-2,6-difluoro-benzoic acid CAS Name: 3-(2-amino-2-oxoethyl)sulfonyl-2,6-difluorobenzoic acid IUPAC Name: 3-(2-amino-2-oxoethyl)sulfonyl-2,6-difluorobenzoic acid Traditional Name: 3-(2-amino-2-keto-ethyl)sulfonyl-2,6-difluoro-benzoic acid Formula: C9H7F2NO5S MolecularWeight: 279.217386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)CC(=O)N

Isomeric SMILES

C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)CC(=O)N

InChI

InChI=1S/C9H7F2NO5S/c10-4-1-2-5(8(11)7(4)9(14)15)18(16,17)3-6(12)13/h1-2H,3H2,(H2,12,13)(H,14,15)