N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 2-(3-pyridyl)-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]cinchoninamide Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H21N5O3S/c31-25(28-18-7-3-8-19(14-18)34(32,33)30-24-11-5-13-27-24)21-15-23(17-6-4-12-26-16-17)29-22-10-2-1-9-20(21)22/h1-4,6-10,12,14-16H,5,11,13H2,(H,27,30)(H,28,31)