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

Systemtic Name: 4-methyl-3-[methyl(pentan-3-yl)sulfamoyl]benzoic acid Openeye Name: 3-[1-ethylpropyl(methyl)sulfamoyl]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[methyl(pentan-3-yl)sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[methyl(pentan-3-yl)sulfamoyl]benzoic acid Traditional Name: 3-[1-ethylpropyl(methyl)sulfamoyl]-4-methyl-benzoic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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)C

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-5-12(6-2)15(4)20(18,19)13-9-11(14(16)17)8-7-10(13)3/h7-9,12H,5-6H2,1-4H3,(H,16,17)