2-(4-methylphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-methylphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(p-tolyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(4-methylphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-methylphenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(p-tolyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]cinchoninamide Formula: C29H29N4O3S+ MolecularWeight: 513.63056

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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+]CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)NC5=[NH+]CCCCC5

InChI

InChI=1S/C29H28N4O3S/c1-20-13-15-21(16-14-20)27-19-25(24-10-4-5-11-26(24)32-27)29(34)31-22-8-7-9-23(18-22)37(35,36)33-28-12-3-2-6-17-30-28/h4-5,7-11,13-16,18-19H,2-3,6,12,17H2,1H3,(H,30,33)(H,31,34)/p+1