4-methyl-3-[(3-methylbutanoylamino)sulfamoyl]benzoate

Systemtic Name: 4-methyl-3-[(3-methylbutanoylamino)sulfamoyl]benzoate Openeye Name: 4-methyl-3-[(3-methylbutanoylamino)sulfamoyl]benzoate CAS Name: 4-methyl-3-[[(3-methyl-1-oxobutyl)amino]sulfamoyl]benzoate IUPAC Name: 4-methyl-3-[(3-methylbutanoylamino)sulfamoyl]benzoate Traditional Name: 3-[(isovalerylamino)sulfamoyl]-4-methyl-benzoate Formula: C13H17N2O5S- MolecularWeight: 313.34948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-8(2)6-12(16)14-15-21(19,20)11-7-10(13(17)18)5-4-9(11)3/h4-5,7-8,15H,6H2,1-3H3,(H,14,16)(H,17,18)/p-1