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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)N(C)CC2=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)N(C)CC2=CC=CC=C2S(=O)(=O)C3CCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C34H40N4O5S/c1-5-42-30-20-24(13-16-29(30)43-22(2)3)32(37-26-14-15-28-23(19-26)17-18-36-33(28)35)34(39)38(4)21-25-9-6-7-12-31(25)44(40,41)27-10-8-11-27/h6-7,9,12-20,22,27,32,37H,5,8,10-11,21H2,1-4H3,(H2,35,36)