3-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[(2-bromo-4,6-difluoro-phenyl)sulfonylamino]propanoic acid CAS Name: 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(2-bromo-4,6-difluoro-phenyl)sulfonylamino]propionic acid Formula: C9H8BrF2NO4S MolecularWeight: 344.129926

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)S(=O)(=O)NCCC(=O)O)Br)F

Isomeric SMILES

C1=C(C=C(C(=C1F)S(=O)(=O)NCCC(=O)O)Br)F

InChI

InChI=1S/C9H8BrF2NO4S/c10-6-3-5(11)4-7(12)9(6)18(16,17)13-2-1-8(14)15/h3-4,13H,1-2H2,(H,14,15)