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

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-N-(2-cyclobutylsulfonylbenzyl)-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C33H38N4O5S MolecularWeight: 602.74362

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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)NC4=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)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C33H38N4O5S/c1-4-41-29-19-23(12-15-28(29)42-21(2)3)31(37-25-13-14-27-22(18-25)16-17-35-32(27)34)33(38)36-20-24-8-5-6-11-30(24)43(39,40)26-9-7-10-26/h5-6,8,11-19,21,26,31,37H,4,7,9-10,20H2,1-3H3,(H2,34,35)(H,36,38)