2-[(1-azanyl-5-methyl-isoquinolin-6-yl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-methyl-ethanamide

Systemtic Name: 2-[(1-azanyl-5-methyl-isoquinolin-6-yl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-methyl-ethanamide Openeye Name: 2-[(1-amino-5-methyl-6-isoquinolyl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-methyl-acetamide CAS Name: 2-[(1-amino-5-methyl-6-isoquinolinyl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-methylacetamide IUPAC Name: 2-[(1-amino-5-methylisoquinolin-6-yl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-methylacetamide Traditional Name: 2-[(1-amino-5-methyl-6-isoquinolyl)amino]-N-(2-cyclopropylsulfonylbenzyl)-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)C3CC3)NC4=C(C5=C(C=C4)C(=NC=C5)N)C)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)N(C)CC2=CC=CC=C2S(=O)(=O)C3CC3)NC4=C(C5=C(C=C4)C(=NC=C5)N)C)OC(C)C

InChI

InChI=1S/C34H40N4O5S/c1-6-42-30-19-23(11-16-29(30)43-21(2)3)32(37-28-15-14-27-26(22(28)4)17-18-36-33(27)35)34(39)38(5)20-24-9-7-8-10-31(24)44(40,41)25-12-13-25/h7-11,14-19,21,25,32,37H,6,12-13,20H2,1-5H3,(H2,35,36)