5-[2,6-bis(bromanyl)-4-methyl-phenyl]azanidylsulfonylthiophene-3-carboxylate

Systemtic Name: 5-[2,6-bis(bromanyl)-4-methyl-phenyl]azanidylsulfonylthiophene-3-carboxylate Openeye Name: 5-(2,6-dibromo-4-methyl-phenyl)azanidylsulfonylthiophene-3-carboxylate CAS Name: 5-(2,6-dibromo-4-methylphenyl)azanidylsulfonyl-3-thiophenecarboxylate IUPAC Name: 5-(2,6-dibromo-4-methylphenyl)azanidylsulfonylthiophene-3-carboxylate Traditional Name: 5-(2,6-dibromo-4-methyl-phenyl)azanidylsulfonyl-3-thenoate Formula: C12H7Br2NO4S2-2 MolecularWeight: 453.12628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)[N-]S(=O)(=O)C2=CC(=CS2)C(=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)[N-]S(=O)(=O)C2=CC(=CS2)C(=O)[O-])Br

InChI

InChI=1S/C12H8Br2NO4S2/c1-6-2-8(13)11(9(14)3-6)15-21(18,19)10-4-7(5-20-10)12(16)17/h2-5H,1H3,(H,16,17)/q-1/p-1