3-[(5-bromanylthiophen-2-yl)sulfonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)sulfonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(5-bromo-2-thienyl)sulfonylamino]-4-methyl-benzoic acid CAS Name: 3-[(5-bromo-2-thiophenyl)sulfonylamino]-4-methylbenzoic acid IUPAC Name: 3-[(5-bromothiophen-2-yl)sulfonylamino]-4-methylbenzoic acid Traditional Name: 3-[(5-bromo-2-thienyl)sulfonylamino]-4-methyl-benzoic acid Formula: C12H10BrNO4S2 MolecularWeight: 376.2461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C12H10BrNO4S2/c1-7-2-3-8(12(15)16)6-9(7)14-20(17,18)11-5-4-10(13)19-11/h2-6,14H,1H3,(H,15,16)