3-[[2,5-bis(bromanyl)thiophen-3-yl]sulfonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2,5-bis(bromanyl)thiophen-3-yl]sulfonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2,5-dibromo-3-thienyl)sulfonylamino]-4-methyl-benzoic acid CAS Name: 3-[(2,5-dibromo-3-thiophenyl)sulfonylamino]-4-methylbenzoic acid IUPAC Name: 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylbenzoic acid Traditional Name: 3-[(2,5-dibromo-3-thienyl)sulfonylamino]-4-methyl-benzoic acid Formula: C12H9Br2NO4S2 MolecularWeight: 455.14216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=C(SC(=C2)Br)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=C(SC(=C2)Br)Br

InChI

InChI=1S/C12H9Br2NO4S2/c1-6-2-3-7(12(16)17)4-8(6)15-21(18,19)9-5-10(13)20-11(9)14/h2-5,15H,1H3,(H,16,17)