4-methyl-3-[(3-methylbutanoylamino)sulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[(3-methylbutanoylamino)sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[(3-methylbutanoylamino)sulfamoyl]benzoic acid CAS Name: 4-methyl-3-[[(3-methyl-1-oxobutyl)amino]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[(3-methylbutanoylamino)sulfamoyl]benzoic acid Traditional Name: 3-[(isovalerylamino)sulfamoyl]-4-methyl-benzoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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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)