2-[4-bromanyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[4-bromanyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]-2-methyl-propanoic acid Openeye Name: 2-[4-bromo-5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]-2-methyl-propanoic acid CAS Name: 2-[4-bromo-5-phenyl-1-(4-sulfamoylphenyl)-3-pyrazolyl]-2-methylpropanoic acid IUPAC Name: 2-[4-bromo-5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]-2-methylpropanoic acid Traditional Name: 2-[4-bromo-5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]-2-methyl-propionic acid Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NN(C(=C1Br)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CC(C)(C1=NN(C(=C1Br)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C19H18BrN3O4S/c1-19(2,18(24)25)17-15(20)16(12-6-4-3-5-7-12)23(22-17)13-8-10-14(11-9-13)28(21,26)27/h3-11H,1-2H3,(H,24,25)(H2,21,26,27)