5-bromanyl-4-(3,5-dimethoxyphenyl)azanidylsulfonyl-thiophene-2-carboxylate

Systemtic Name: 5-bromanyl-4-(3,5-dimethoxyphenyl)azanidylsulfonyl-thiophene-2-carboxylate Openeye Name: 5-bromo-4-(3,5-dimethoxyphenyl)azanidylsulfonyl-thiophene-2-carboxylate CAS Name: 5-bromo-4-(3,5-dimethoxyphenyl)azanidylsulfonyl-2-thiophenecarboxylate IUPAC Name: 5-bromo-4-(3,5-dimethoxyphenyl)azanidylsulfonylthiophene-2-carboxylate Traditional Name: 5-bromo-4-(3,5-dimethoxyphenyl)azanidylsulfonyl-2-thenoate Formula: C13H10BrNO6S2-2 MolecularWeight: 420.2556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[N-]S(=O)(=O)C2=C(SC(=C2)C(=O)[O-])Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)[N-]S(=O)(=O)C2=C(SC(=C2)C(=O)[O-])Br)OC

InChI

InChI=1S/C13H11BrNO6S2/c1-20-8-3-7(4-9(5-8)21-2)15-23(18,19)11-6-10(13(16)17)22-12(11)14/h3-6H,1-2H3,(H,16,17)/q-1/p-1