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

Systemtic Name: ethyl 4-bromanyl-5-[(E)-1,2-diphenylethenyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-5-[(E)-1,2-diphenylvinyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 4-bromo-5-[(E)-1,2-diphenylethenyl]-1-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-[(E)-1,2-diphenylethenyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-5-[(E)-1,2-diphenylvinyl]-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C26H22BrN3O4S MolecularWeight: 552.43958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1Br)C(=CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1Br)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C26H22BrN3O4S/c1-2-34-26(31)24-23(27)25(30(29-24)20-13-15-21(16-14-20)35(28,32)33)22(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-17H,2H2,1H3,(H2,28,32,33)/b22-17+