3-[[(4,6-dimethylpyrimidin-2-yl)amino]sulfamoyl]benzoate

Systemtic Name: 3-[[(4,6-dimethylpyrimidin-2-yl)amino]sulfamoyl]benzoate Openeye Name: 3-[[(4,6-dimethylpyrimidin-2-yl)amino]sulfamoyl]benzoate CAS Name: 3-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfamoyl]benzoate IUPAC Name: 3-[[(4,6-dimethylpyrimidin-2-yl)amino]sulfamoyl]benzoate Traditional Name: 3-[[(4,6-dimethylpyrimidin-2-yl)amino]sulfamoyl]benzoate Formula: C13H13N4O4S- MolecularWeight: 321.33172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NNS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])C

InChI

InChI=1S/C13H14N4O4S/c1-8-6-9(2)15-13(14-8)16-17-22(20,21)11-5-3-4-10(7-11)12(18)19/h3-7,17H,1-2H3,(H,18,19)(H,14,15,16)/p-1