[4-[2-cyano-3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]prop-1-enyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-cyano-3-keto-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] ester Formula: C23H16BrN3O5S MolecularWeight: 526.35924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H16BrN3O5S/c24-18-5-3-16(4-6-18)23(29)32-20-9-1-15(2-10-20)13-17(14-25)22(28)27-19-7-11-21(12-8-19)33(26,30)31/h1-13H,(H,27,28)(H2,26,30,31)