3,4-dimethyl-5-[methyl(2-methylbutyl)sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[methyl(2-methylbutyl)sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[methyl(2-methylbutyl)sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[methyl(2-methylbutyl)sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[methyl(2-methylbutyl)sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[methyl(2-methylbutyl)sulfamoyl]benzoic acid Formula: C15H23NO4S MolecularWeight: 313.41242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C)S(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

Isomeric SMILES

CCC(C)CN(C)S(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

InChI

InChI=1S/C15H23NO4S/c1-6-10(2)9-16(5)21(19,20)14-8-13(15(17)18)7-11(3)12(14)4/h7-8,10H,6,9H2,1-5H3,(H,17,18)