[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C19H19BrN2O7S MolecularWeight: 499.33236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C19H19BrN2O7S/c1-28-17-8-2-12(20)10-15(17)16(23)7-9-19(25)29-11-18(24)22-13-3-5-14(6-4-13)30(21,26)27/h2-6,8,10H,7,9,11H2,1H3,(H,22,24)(H2,21,26,27)