2-[3,5-dimethyl-4-(phenylsulfamoyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-(phenylsulfamoyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-(phenylsulfamoyl)pyrazol-1-yl]acetic acid CAS Name: 2-[3,5-dimethyl-4-(phenylsulfamoyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-(phenylsulfamoyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[3,5-dimethyl-4-(phenylsulfamoyl)pyrazol-1-yl]acetic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)NC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O4S/c1-9-13(10(2)16(14-9)8-12(17)18)21(19,20)15-11-6-4-3-5-7-11/h3-7,15H,8H2,1-2H3,(H,17,18)