2-bromanyl-5-[methyl(pentyl)sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[methyl(pentyl)sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[methyl(pentyl)sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[methyl(pentyl)sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[methyl(pentyl)sulfamoyl]benzoic acid Traditional Name: 5-[amyl(methyl)sulfamoyl]-2-bromo-benzoic acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

Isomeric SMILES

CCCCCN(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C13H18BrNO4S/c1-3-4-5-8-15(2)20(18,19)10-6-7-12(14)11(9-10)13(16)17/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)