2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-[(2-methoxy-5-sulfamoyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-[(2-methoxy-5-sulfamoyl-phenyl)methyl]ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-[(2-methoxy-5-sulfamoyl-phenyl)methyl]acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[(2-methoxy-5-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[(2-methoxy-5-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(2-methoxy-5-sulfamoyl-benzyl)acetamide Formula: C30H35N5O6S MolecularWeight: 593.6938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)S(=O)(=O)N)OC)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)S(=O)(=O)N)OC)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

InChI

InChI=1S/C30H35N5O6S/c1-5-40-27-16-20(6-10-26(27)41-18(2)3)28(35-22-7-9-24-19(14-22)12-13-33-29(24)31)30(36)34-17-21-15-23(42(32,37)38)8-11-25(21)39-4/h6-16,18,28,35H,5,17H2,1-4H3,(H2,31,33)(H,34,36)(H2,32,37,38)