5-bromanyl-4-(6-methylheptan-2-ylsulfamoyl)thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-(6-methylheptan-2-ylsulfamoyl)thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-(1,5-dimethylhexylsulfamoyl)thiophene-2-carboxylic acid CAS Name: 5-bromo-4-(6-methylheptan-2-ylsulfamoyl)-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-(6-methylheptan-2-ylsulfamoyl)thiophene-2-carboxylic acid Traditional Name: 5-bromo-4-(1,5-dimethylhexylsulfamoyl)-2-thenoic acid Formula: C13H20BrNO4S2 MolecularWeight: 398.3362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NS(=O)(=O)C1=C(SC(=C1)C(=O)O)Br

Isomeric SMILES

CC(C)CCCC(C)NS(=O)(=O)C1=C(SC(=C1)C(=O)O)Br

InChI

InChI=1S/C13H20BrNO4S2/c1-8(2)5-4-6-9(3)15-21(18,19)11-7-10(13(16)17)20-12(11)14/h7-9,15H,4-6H2,1-3H3,(H,16,17)