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

Systemtic Name: 2-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide CAS Name: 2-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]cinchoninamide Formula: C28H27N4O3S+ MolecularWeight: 499.60398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S/c33-28(24-19-26(20-10-3-1-4-11-20)31-25-15-7-6-14-23(24)25)30-21-12-9-13-22(18-21)36(34,35)32-27-16-5-2-8-17-29-27/h1,3-4,6-7,9-15,18-19H,2,5,8,16-17H2,(H,29,32)(H,30,33)/p+1