2-[4-[(4-methylsulfanylphenyl)sulfamoyl]pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-methylsulfanylphenyl)sulfamoyl]pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[(4-methylsulfanylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid CAS Name: 2-[4-[[4-(methylthio)phenyl]sulfamoyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[(4-methylsulfanylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[4-[[4-(methylthio)phenyl]sulfamoyl]pyrazol-1-yl]acetic acid Formula: C12H13N3O4S2 MolecularWeight: 327.37932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2)CC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2)CC(=O)O

InChI

InChI=1S/C12H13N3O4S2/c1-20-10-4-2-9(3-5-10)14-21(18,19)11-6-13-15(7-11)8-12(16)17/h2-7,14H,8H2,1H3,(H,16,17)