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

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-N-[(2-cyclopentylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-N-[(2-cyclopentylsulfonylphenyl)methyl]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-N-[(2-cyclopentylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-N-[(2-cyclopentylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-N-(2-cyclopentylsulfonylbenzyl)-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C34H40N4O5S MolecularWeight: 616.7702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2S(=O)(=O)C3CCCC3)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)C3CCCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C34H40N4O5S/c1-4-42-30-20-24(13-16-29(30)43-22(2)3)32(38-26-14-15-28-23(19-26)17-18-36-33(28)35)34(39)37-21-25-9-5-8-12-31(25)44(40,41)27-10-6-7-11-27/h5,8-9,12-20,22,27,32,38H,4,6-7,10-11,21H2,1-3H3,(H2,35,36)(H,37,39)