4-bromanyl-3-[methyl(pentan-3-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[methyl(pentan-3-yl)sulfamoyl]benzoic acid Openeye Name: 4-bromo-3-[1-ethylpropyl(methyl)sulfamoyl]benzoic acid CAS Name: 4-bromo-3-[methyl(pentan-3-yl)sulfamoyl]benzoic acid IUPAC Name: 4-bromo-3-[methyl(pentan-3-yl)sulfamoyl]benzoic acid Traditional Name: 4-bromo-3-[1-ethylpropyl(methyl)sulfamoyl]benzoic acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Br

Isomeric SMILES

CCC(CC)N(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Br

InChI

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