4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]benzoic acid Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]benzoic acid CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]benzoic acid IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]benzoic acid Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]benzoic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C13H13N3O4S/c1-8-7-9(2)15-13(14-8)16-21(19,20)11-5-3-10(4-6-11)12(17)18/h3-7H,1-2H3,(H,17,18)(H,14,15,16)