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

Systemtic Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N(C)CCC#N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N(C)CCC#N)C

InChI

InChI=1S/C13H16N2O4S/c1-9-7-11(13(16)17)8-12(10(9)2)20(18,19)15(3)6-4-5-14/h7-8H,4,6H2,1-3H3,(H,16,17)