6-bromanyl-2-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-pyridyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide CAS Name: 6-bromo-2-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-pyridin-4-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-pyridyl)-N-(4-sulfamoylbenzyl)cinchoninamide Formula: C22H17BrN4O3S MolecularWeight: 497.36438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=NC=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=NC=C4)S(=O)(=O)N

InChI

InChI=1S/C22H17BrN4O3S/c23-16-3-6-20-18(11-16)19(12-21(27-20)15-7-9-25-10-8-15)22(28)26-13-14-1-4-17(5-2-14)31(24,29)30/h1-12H,13H2,(H,26,28)(H2,24,29,30)