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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO4S2/c1-3-4-5-6-7-9(2)15-21(18,19)11-8-10(13(16)17)20-12(11)14/h8-9,15H,3-7H2,1-2H3,(H,16,17)