3,4-dimethyl-5-(pyrimidin-2-ylsulfamoyl)benzoic acid

Systemtic Name: 3,4-dimethyl-5-(pyrimidin-2-ylsulfamoyl)benzoic acid Openeye Name: 3,4-dimethyl-5-(pyrimidin-2-ylsulfamoyl)benzoic acid CAS Name: 3,4-dimethyl-5-(2-pyrimidinylsulfamoyl)benzoic acid IUPAC Name: 3,4-dimethyl-5-(pyrimidin-2-ylsulfamoyl)benzoic acid Traditional Name: 3,4-dimethyl-5-(2-pyrimidylsulfamoyl)benzoic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=NC=CC=N2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=NC=CC=N2)C

InChI

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