5-bromanyl-4-(3-ethanoylphenyl)azanidylsulfonyl-thiophene-2-carboxylate

Systemtic Name: 5-bromanyl-4-(3-ethanoylphenyl)azanidylsulfonyl-thiophene-2-carboxylate Openeye Name: 4-(3-acetylphenyl)azanidylsulfonyl-5-bromo-thiophene-2-carboxylate CAS Name: 4-(3-acetylphenyl)azanidylsulfonyl-5-bromo-2-thiophenecarboxylate IUPAC Name: 4-(3-acetylphenyl)azanidylsulfonyl-5-bromothiophene-2-carboxylate Traditional Name: 4-(3-acetylphenyl)azanidylsulfonyl-5-bromo-2-thenoate Formula: C13H8BrNO5S2-2 MolecularWeight: 402.24032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrNO5S2/c1-7(16)8-3-2-4-9(5-8)15-22(19,20)11-6-10(13(17)18)21-12(11)14/h2-6H,1H3,(H,17,18)/q-1/p-1