3-[3,5-dimethyl-4-(3-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3,5-dimethyl-4-(3-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(1,2-dimethylpropylsulfamoyl)-3,5-dimethyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-4-(3-methylbutan-2-ylsulfamoyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-4-(3-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(1,2-dimethylpropylsulfamoyl)-3,5-dimethyl-pyrazol-1-yl]propionic acid Formula: C13H23N3O4S MolecularWeight: 317.40442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)NC(C)C(C)C

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)NC(C)C(C)C

InChI

InChI=1S/C13H23N3O4S/c1-8(2)9(3)15-21(19,20)13-10(4)14-16(11(13)5)7-6-12(17)18/h8-9,15H,6-7H2,1-5H3,(H,17,18)