2-(1-azanylisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]pentanamide

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]pentanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-sulfamoylphenyl)phenyl]pentanamide CAS Name: 2-[(1-amino-7-isoquinolinyl)oxy]-N-[4-(2-sulfamoylphenyl)phenyl]pentanamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]pentanamide Traditional Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-sulfamoylphenyl)phenyl]valeramide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)OC3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

CCCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)OC3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C26H26N4O4S/c1-2-5-23(34-20-13-10-18-14-15-29-25(27)22(18)16-20)26(31)30-19-11-8-17(9-12-19)21-6-3-4-7-24(21)35(28,32)33/h3-4,6-16,23H,2,5H2,1H3,(H2,27,29)(H,30,31)(H2,28,32,33)