2-(1-azanylisoquinolin-6-yl)oxy-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: 2-(1-azanylisoquinolin-6-yl)oxy-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)oxy]-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)oxy]-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-(1-aminoisoquinolin-6-yl)oxy-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)oxy]-N-(2-cyclobutylsulfonylbenzyl)-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C33H37N3O6S MolecularWeight: 603.72838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2S(=O)(=O)C3CCC3)OC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2S(=O)(=O)C3CCC3)OC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C33H37N3O6S/c1-4-40-29-19-23(12-15-28(29)41-21(2)3)31(42-25-13-14-27-22(18-25)16-17-35-32(27)34)33(37)36-20-24-8-5-6-11-30(24)43(38,39)26-9-7-10-26/h5-6,8,11-19,21,26,31H,4,7,9-10,20H2,1-3H3,(H2,34,35)(H,36,37)