ethyl 4-bromanyl-5-[(E)-1-phenylprop-1-en-2-yl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-5-[(E)-1-phenylprop-1-en-2-yl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-5-[(E)-1-methyl-2-phenyl-vinyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 4-bromo-5-[(E)-1-phenylprop-1-en-2-yl]-1-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-[(E)-1-phenylprop-1-en-2-yl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-5-[(E)-1-methyl-2-phenyl-vinyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H20BrN3O4S MolecularWeight: 490.3702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1Br)C(=CC2=CC=CC=C2)C)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O4S/c1-3-29-21(26)19-18(22)20(14(2)13-15-7-5-4-6-8-15)25(24-19)16-9-11-17(12-10-16)30(23,27)28/h4-13H,3H2,1-2H3,(H2,23,27,28)/b14-13+