4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]azanidylsulfonyl]-5-bromanyl-thiophene-2-carboxylate

Systemtic Name: 4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]azanidylsulfonyl]-5-bromanyl-thiophene-2-carboxylate Openeye Name: 5-bromo-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)azanidylsulfonyl]thiophene-2-carboxylate CAS Name: 5-bromo-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)azanidylsulfonyl]-2-thiophenecarboxylate IUPAC Name: 5-bromo-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)azanidylsulfonyl]thiophene-2-carboxylate Traditional Name: 5-bromo-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)azanidylsulfonyl]-2-thenoate Formula: C12H4BrF2NO6S2-2 MolecularWeight: 440.194066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N-]S(=O)(=O)C3=C(SC(=C3)C(=O)[O-])Br)OC(O2)(F)F

Isomeric SMILES

C1=CC2=C(C=C1[N-]S(=O)(=O)C3=C(SC(=C3)C(=O)[O-])Br)OC(O2)(F)F

InChI

InChI=1S/C12H5BrF2NO6S2/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/h1-4H,(H,17,18)/q-1/p-1