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

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)oxy-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide CAS Name: 2-[(1-amino-7-isoquinolinyl)oxy]-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide Traditional Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-mesylphenyl)phenyl]valeramide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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