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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methyl-quinoline-4-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methylquinoline-4-carboxamide Traditional Name: 2-methyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]cinchoninamide Formula: C21H21N4O3S+ MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H20N4O3S/c1-14-12-18(17-8-2-3-9-19(17)23-14)21(26)24-15-6-4-7-16(13-15)29(27,28)25-20-10-5-11-22-20/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,22,25)(H,24,26)/p+1