5-bromanyl-4-[3-(trifluoromethyl)phenyl]azanidylsulfonyl-thiophene-2-carboxylate

Systemtic Name: 5-bromanyl-4-[3-(trifluoromethyl)phenyl]azanidylsulfonyl-thiophene-2-carboxylate Openeye Name: 5-bromo-4-[3-(trifluoromethyl)phenyl]azanidylsulfonyl-thiophene-2-carboxylate CAS Name: 5-bromo-4-[3-(trifluoromethyl)phenyl]azanidylsulfonyl-2-thiophenecarboxylate IUPAC Name: 5-bromo-4-[3-(trifluoromethyl)phenyl]azanidylsulfonylthiophene-2-carboxylate Traditional Name: 5-bromo-4-[3-(trifluoromethyl)phenyl]azanidylsulfonyl-2-thenoate Formula: C12H5BrF3NO4S2-2 MolecularWeight: 428.20161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N-]S(=O)(=O)C2=C(SC(=C2)C(=O)[O-])Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N-]S(=O)(=O)C2=C(SC(=C2)C(=O)[O-])Br)C(F)(F)F

InChI

InChI=1S/C12H6BrF3NO4S2/c13-10-9(5-8(22-10)11(18)19)23(20,21)17-7-3-1-2-6(4-7)12(14,15)16/h1-5H,(H,18,19)/q-1/p-1