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

Systemtic Name: 2-pyridin-4-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(4-pyridyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide CAS Name: 2-pyridin-4-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-pyridin-4-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(4-pyridyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]cinchoninamide Formula: C27H26N5O3S+ MolecularWeight: 500.59204

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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=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O3S/c33-27(23-18-25(19-13-16-28-17-14-19)31-24-7-4-3-6-22(23)24)30-20-9-11-21(12-10-20)36(34,35)32-26-8-2-1-5-15-29-26/h3-4,6-7,9-14,16-18H,1-2,5,8,15H2,(H,29,32)(H,30,33)/p+1