[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C24H18BrN3O5S MolecularWeight: 540.38582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C24H18BrN3O5S/c25-16-6-3-5-15(11-16)22-13-20(19-9-1-2-10-21(19)28-22)24(30)33-14-23(29)27-17-7-4-8-18(12-17)34(26,31)32/h1-13H,14H2,(H,27,29)(H2,26,31,32)