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

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)oxy-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenyl-ethanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenyl-acetamide CAS Name: 2-[(1-amino-7-isoquinolinyl)oxy]-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylacetamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylacetamide Traditional Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-mesylphenyl)phenyl]-2-phenyl-acetamide Formula: C30H25N3O4S MolecularWeight: 523.6022

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C30H25N3O4S/c1-38(35,36)27-10-6-5-9-25(27)20-11-14-23(15-12-20)33-30(34)28(22-7-3-2-4-8-22)37-24-16-13-21-17-18-32-29(31)26(21)19-24/h2-19,28H,1H3,(H2,31,32)(H,33,34)