4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]sulfamoyl]-5-bromanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]sulfamoyl]-5-bromanyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]thiophene-2-carboxylic acid Traditional Name: 5-bromo-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-2-thenoic acid Formula: C12H6BrF2NO6S2 MolecularWeight: 442.209946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NS(=O)(=O)C3=C(SC(=C3)C(=O)O)Br)OC(O2)(F)F

Isomeric SMILES

C1=CC2=C(C=C1NS(=O)(=O)C3=C(SC(=C3)C(=O)O)Br)OC(O2)(F)F

InChI

InChI=1S/C12H6BrF2NO6S2/c13-10-9(4-8(23-10)11(17)18)24(19,20)16-5-1-2-6-7(3-5)22-12(14,15)21-6/h1-4,16H,(H,17,18)