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

Systemtic Name: ethyl 5-[(E)-1-phenylprop-1-en-2-yl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-[(E)-1-methyl-2-phenyl-vinyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 5-[(E)-1-phenylprop-1-en-2-yl]-1-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-1-phenylprop-1-en-2-yl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 5-[(E)-1-methyl-2-phenyl-vinyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-3-28-21(25)19-14-20(15(2)13-16-7-5-4-6-8-16)24(23-19)17-9-11-18(12-10-17)29(22,26)27/h4-14H,3H2,1-2H3,(H2,22,26,27)/b15-13+