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

Systemtic Name: 2-pyridin-4-yl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(4-pyridyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide CAS Name: 2-pyridin-4-yl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-pyridin-4-yl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(4-pyridyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]cinchoninamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

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