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

Systemtic Name: 2-(1-azanylisoquinolin-5-yl)oxy-N-[4-(2-methylsulfonylphenyl)phenyl]hexanamide Openeye Name: 2-[(1-amino-5-isoquinolyl)oxy]-N-[4-(2-methylsulfonylphenyl)phenyl]hexanamide CAS Name: 2-[(1-amino-5-isoquinolinyl)oxy]-N-[4-(2-methylsulfonylphenyl)phenyl]hexanamide IUPAC Name: 2-(1-aminoisoquinolin-5-yl)oxy-N-[4-(2-methylsulfonylphenyl)phenyl]hexanamide Traditional Name: 2-[(1-amino-5-isoquinolyl)oxy]-N-[4-(2-mesylphenyl)phenyl]hexanamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4S/c1-3-4-10-25(35-24-11-7-9-23-22(24)17-18-30-27(23)29)28(32)31-20-15-13-19(14-16-20)21-8-5-6-12-26(21)36(2,33)34/h5-9,11-18,25H,3-4,10H2,1-2H3,(H2,29,30)(H,31,32)