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

Systemtic Name: 2-[4-(furan-2-ylmethylsulfamoyl)-3,5-dimethyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(2-furylmethylsulfamoyl)-3,5-dimethyl-pyrazol-1-yl]acetic acid CAS Name: 2-[4-(2-furanylmethylsulfamoyl)-3,5-dimethyl-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(furan-2-ylmethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetic acid Traditional Name: 2-[4-(2-furfurylsulfamoyl)-3,5-dimethyl-pyrazol-1-yl]acetic acid Formula: C12H15N3O5S MolecularWeight: 313.3296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)NCC2=CC=CO2

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)NCC2=CC=CO2

InChI

InChI=1S/C12H15N3O5S/c1-8-12(9(2)15(14-8)7-11(16)17)21(18,19)13-6-10-4-3-5-20-10/h3-5,13H,6-7H2,1-2H3,(H,16,17)