2-(5-bromanylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(5-bromo-2-thienyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide CAS Name: 2-(5-bromo-2-thiophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-bromothiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(5-bromo-2-thienyl)-N-[2-(4-sulfamoylphenyl)ethyl]cinchoninamide Formula: C22H18BrN3O3S2 MolecularWeight: 516.43062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Br)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Br)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H18BrN3O3S2/c23-21-10-9-20(30-21)19-13-17(16-3-1-2-4-18(16)26-19)22(27)25-12-11-14-5-7-15(8-6-14)31(24,28)29/h1-10,13H,11-12H2,(H,25,27)(H2,24,28,29)