5-bromanyl-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-bromo-3-(o-tolylsulfonylamino)thiophene-2-carboxylic acid CAS Name: 5-bromo-3-[(2-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-bromo-3-(o-tolylsulfonylamino)-2-thenoic acid Formula: C12H10BrNO4S2 MolecularWeight: 376.2461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)Br)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)Br)C(=O)O

InChI

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