2-(1-azanylisoquinolin-7-yl)oxy-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)oxy-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)oxy]-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide CAS Name: 2-[(1-amino-7-isoquinolinyl)oxy]-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide Traditional Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-mesylphenyl)phenyl]-3-methyl-butyramide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

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