3,4-dimethyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid

Systemtic Name: 3,4-dimethyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid Openeye Name: 3,4-dimethyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid CAS Name: 3,4-dimethyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid IUPAC Name: 3,4-dimethyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid Traditional Name: 3,4-dimethyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CNN=C2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CNN=C2)C

InChI

InChI=1S/C12H13N3O4S/c1-7-3-9(12(16)17)4-11(8(7)2)20(18,19)15-10-5-13-14-6-10/h3-6,15H,1-2H3,(H,13,14)(H,16,17)