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

Systemtic Name: 2-pyridin-3-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(3-pyridyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(3-pyridinyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-pyridin-3-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(3-pyridyl)-N-[4-(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=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

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

InChI

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