3,4-dimethyl-5-[(3-methylbutanoylamino)sulfamoyl]benzoate

Systemtic Name: 3,4-dimethyl-5-[(3-methylbutanoylamino)sulfamoyl]benzoate Openeye Name: 3,4-dimethyl-5-[(3-methylbutanoylamino)sulfamoyl]benzoate CAS Name: 3,4-dimethyl-5-[[(3-methyl-1-oxobutyl)amino]sulfamoyl]benzoate IUPAC Name: 3,4-dimethyl-5-[(3-methylbutanoylamino)sulfamoyl]benzoate Traditional Name: 3-[(isovalerylamino)sulfamoyl]-4,5-dimethyl-benzoate Formula: C14H19N2O5S- MolecularWeight: 327.37606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NNC(=O)CC(C)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NNC(=O)CC(C)C)C

InChI

InChI=1S/C14H20N2O5S/c1-8(2)5-13(17)15-16-22(20,21)12-7-11(14(18)19)6-9(3)10(12)4/h6-8,16H,5H2,1-4H3,(H,15,17)(H,18,19)/p-1