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

Systemtic Name: 2-[(1-azanyl-5-methyl-isoquinolin-6-yl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: 2-[(1-amino-5-methyl-6-isoquinolyl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[(1-amino-5-methyl-6-isoquinolinyl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-[(1-amino-5-methylisoquinolin-6-yl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[(1-amino-5-methyl-6-isoquinolyl)amino]-N-(2-cyclopropylsulfonylbenzyl)-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)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)NCC2=CC=CC=C2S(=O)(=O)C3CC3)NC4=C(C5=C(C=C4)C(=NC=C5)N)C)OC(C)C

InChI

InChI=1S/C33H38N4O5S/c1-5-41-29-18-22(10-15-28(29)42-20(2)3)31(37-27-14-13-26-25(21(27)4)16-17-35-32(26)34)33(38)36-19-23-8-6-7-9-30(23)43(39,40)24-11-12-24/h6-10,13-18,20,24,31,37H,5,11-12,19H2,1-4H3,(H2,34,35)(H,36,38)