5-bromanyl-4-(heptan-2-ylsulfamoyl)thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-(heptan-2-ylsulfamoyl)thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-(1-methylhexylsulfamoyl)thiophene-2-carboxylic acid CAS Name: 5-bromo-4-(heptan-2-ylsulfamoyl)-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-(heptan-2-ylsulfamoyl)thiophene-2-carboxylic acid Traditional Name: 5-bromo-4-(1-methylhexylsulfamoyl)-2-thenoic acid Formula: C12H18BrNO4S2 MolecularWeight: 384.30962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NS(=O)(=O)C1=C(SC(=C1)C(=O)O)Br

Isomeric SMILES

CCCCCC(C)NS(=O)(=O)C1=C(SC(=C1)C(=O)O)Br

InChI

InChI=1S/C12H18BrNO4S2/c1-3-4-5-6-8(2)14-20(17,18)10-7-9(12(15)16)19-11(10)13/h7-8,14H,3-6H2,1-2H3,(H,15,16)