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

Systemtic Name: 2-[3,5-dimethyl-4-(3-methylbutylsulfamoyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(isopentylsulfamoyl)-3,5-dimethyl-pyrazol-1-yl]acetic acid CAS Name: 2-[3,5-dimethyl-4-(3-methylbutylsulfamoyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-(3-methylbutylsulfamoyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[4-(isoamylsulfamoyl)-3,5-dimethyl-pyrazol-1-yl]acetic acid Formula: C12H21N3O4S MolecularWeight: 303.37784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)NCCC(C)C

InChI

InChI=1S/C12H21N3O4S/c1-8(2)5-6-13-20(18,19)12-9(3)14-15(10(12)4)7-11(16)17/h8,13H,5-7H2,1-4H3,(H,16,17)