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

Systemtic Name: 2-[4-bromanyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid Openeye Name: 2-[4-bromo-5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid CAS Name: 2-[4-bromo-5-phenyl-1-(4-sulfamoylphenyl)-3-pyrazolyl]propanoic acid IUPAC Name: 2-[4-bromo-5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid Traditional Name: 2-[4-bromo-5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propionic acid Formula: C18H16BrN3O4S MolecularWeight: 450.30634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O4S/c1-11(18(23)24)16-15(19)17(12-5-3-2-4-6-12)22(21-16)13-7-9-14(10-8-13)27(20,25)26/h2-11H,1H3,(H,23,24)(H2,20,25,26)