2-[4-[(4-bromanyl-3-methyl-phenyl)sulfamoyl]pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-bromanyl-3-methyl-phenyl)sulfamoyl]pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[(4-bromo-3-methyl-phenyl)sulfamoyl]pyrazol-1-yl]acetic acid CAS Name: 2-[4-[(4-bromo-3-methylphenyl)sulfamoyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[(4-bromo-3-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[4-[(4-bromo-3-methyl-phenyl)sulfamoyl]pyrazol-1-yl]acetic acid Formula: C12H12BrN3O4S MolecularWeight: 374.21038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CN(N=C2)CC(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CN(N=C2)CC(=O)O)Br

InChI

InChI=1S/C12H12BrN3O4S/c1-8-4-9(2-3-11(8)13)15-21(19,20)10-5-14-16(6-10)7-12(17)18/h2-6,15H,7H2,1H3,(H,17,18)