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

Systemtic Name: ethyl 4-bromanyl-5-[(E)-2-phenylethenyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-5-[(E)-styryl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 4-bromo-5-[(E)-2-phenylethenyl]-1-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-[(E)-2-phenylethenyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-5-[(E)-styryl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H18BrN3O4S MolecularWeight: 476.34362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O4S/c1-2-28-20(25)19-18(21)17(13-8-14-6-4-3-5-7-14)24(23-19)15-9-11-16(12-10-15)29(22,26)27/h3-13H,2H2,1H3,(H2,22,26,27)/b13-8+