N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: 2-(p-tolyl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]cinchoninamide Formula: C27H25N4O3S+ MolecularWeight: 485.5774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)NC5=[NH+]CCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)NC5=[NH+]CCC5

InChI

InChI=1S/C27H24N4O3S/c1-18-11-13-19(14-12-18)25-17-23(22-8-2-3-9-24(22)30-25)27(32)29-20-6-4-7-21(16-20)35(33,34)31-26-10-5-15-28-26/h2-4,6-9,11-14,16-17H,5,10,15H2,1H3,(H,28,31)(H,29,32)/p+1