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

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)oxy-4-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)oxy]-4-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide CAS Name: 2-[(1-amino-7-isoquinolinyl)oxy]-4-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-4-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide Traditional Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-mesylphenyl)phenyl]-4-methyl-valeramide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(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/C28H29N3O4S/c1-18(2)16-25(35-22-13-10-20-14-15-30-27(29)24(20)17-22)28(32)31-21-11-8-19(9-12-21)23-6-4-5-7-26(23)36(3,33)34/h4-15,17-18,25H,16H2,1-3H3,(H2,29,30)(H,31,32)