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

Systemtic Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide Openeye Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide CAS Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2-quinolinecarboxamide IUPAC Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide Traditional Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinaldamide Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22N4O3S/c27-22(20-14-9-16-6-3-4-7-19(16)25-20)24-17-10-12-18(13-11-17)30(28,29)26-21-8-2-1-5-15-23-21/h3-4,6-7,9-14H,1-2,5,8,15H2,(H,23,26)(H,24,27)