4-chloranyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]benzoic acid Formula: C12H12ClN3O4S MolecularWeight: 329.75938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C(=NN1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C12H12ClN3O4S/c1-6-11(7(2)15-14-6)16-21(19,20)10-5-8(12(17)18)3-4-9(10)13/h3-5,16H,1-2H3,(H,14,15)(H,17,18)