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

Systemtic Name: 2-(1-azanylisoquinolin-5-yl)oxy-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide Openeye Name: 2-[(1-amino-5-isoquinolyl)oxy]-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide CAS Name: 2-[(1-amino-5-isoquinolinyl)oxy]-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide IUPAC Name: 2-(1-aminoisoquinolin-5-yl)oxy-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide Traditional Name: 2-[(1-amino-5-isoquinolyl)oxy]-N-[4-(2-mesylphenyl)phenyl]valeramide Formula: C27H27N3O4S MolecularWeight: 489.58598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S/c1-3-7-24(34-23-10-6-9-22-21(23)16-17-29-26(22)28)27(31)30-19-14-12-18(13-15-19)20-8-4-5-11-25(20)35(2,32)33/h4-6,8-17,24H,3,7H2,1-2H3,(H2,28,29)(H,30,31)