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

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-[4-(hydroxymethyl)phenyl]sulfonyl-ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-[4-(hydroxymethyl)phenyl]sulfonyl-acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[4-(hydroxymethyl)phenyl]sulfonylacetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[4-(hydroxymethyl)phenyl]sulfonylacetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(4-methylolphenyl)sulfonyl-acetamide Formula: C29H32N4O6S MolecularWeight: 564.65258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O6S/c1-4-38-26-16-21(7-12-25(26)39-18(2)3)27(32-22-8-11-24-20(15-22)13-14-31-28(24)30)29(35)33-40(36,37)23-9-5-19(17-34)6-10-23/h5-16,18,27,32,34H,4,17H2,1-3H3,(H2,30,31)(H,33,35)