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

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C25H21N3O6S/c1-33-18-11-9-16(10-12-18)23-14-21(20-7-2-3-8-22(20)28-23)25(30)34-15-24(29)27-17-5-4-6-19(13-17)35(26,31)32/h2-14H,15H2,1H3,(H,27,29)(H2,26,31,32)