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

Systemtic Name: 2-(furan-2-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(2-furyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(2-furanyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(furan-2-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(2-furyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]cinchoninamide Formula: C26H25N4O4S+ MolecularWeight: 489.5661

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C26H24N4O4S/c31-26(21-17-23(24-9-6-16-34-24)29-22-8-4-3-7-20(21)22)28-18-11-13-19(14-12-18)35(32,33)30-25-10-2-1-5-15-27-25/h3-4,6-9,11-14,16-17H,1-2,5,10,15H2,(H,27,30)(H,28,31)/p+1