[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C27H25N3O8S MolecularWeight: 551.5677

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C27H25N3O8S/c1-35-23-11-16(12-24(36-2)26(23)37-3)22-14-20(19-9-4-5-10-21(19)30-22)27(32)38-15-25(31)29-17-7-6-8-18(13-17)39(28,33)34/h4-14H,15H2,1-3H3,(H,29,31)(H2,28,33,34)