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

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-methylsulfonyl-ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-methylsulfonyl-acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-methylsulfonylacetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-methylsulfonylacetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-mesyl-acetamide Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C)NC2=CC3=C(C=C2)C(=NC=C3)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C)NC2=CC3=C(C=C2)C(=NC=C3)N)OC(C)C

InChI

InChI=1S/C23H28N4O5S/c1-5-31-20-13-16(6-9-19(20)32-14(2)3)21(23(28)27-33(4,29)30)26-17-7-8-18-15(12-17)10-11-25-22(18)24/h6-14,21,26H,5H2,1-4H3,(H2,24,25)(H,27,28)