2-(1-azanylisoquinolin-5-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide

Systemtic Name: 2-(1-azanylisoquinolin-5-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide Openeye Name: 2-[(1-amino-5-isoquinolyl)oxy]-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide CAS Name: 2-[(1-amino-5-isoquinolinyl)oxy]-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide IUPAC Name: 2-(1-aminoisoquinolin-5-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide Traditional Name: 2-[(1-amino-5-isoquinolyl)oxy]-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)OC3=CC=CC4=C3C=CN=C4N

Isomeric SMILES

CCCCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)OC3=CC=CC4=C3C=CN=C4N

InChI

InChI=1S/C27H28N4O4S/c1-2-3-9-24(35-23-10-6-8-22-21(23)16-17-30-26(22)28)27(32)31-19-14-12-18(13-15-19)20-7-4-5-11-25(20)36(29,33)34/h4-8,10-17,24H,2-3,9H2,1H3,(H2,28,30)(H,31,32)(H2,29,33,34)