2-[azanyl(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-[azanyl(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-[amino(6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(p-tolylsulfonyl)acetamide CAS Name: 2-[amino(6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-[amino(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-[amino(6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-tosyl-acetamide Formula: C29H32N4O5S MolecularWeight: 548.65318

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H32N4O5S/c1-5-37-27-17-22(9-13-26(27)38-19(2)3)28(29(34)32-39(35,36)25-11-6-20(4)7-12-25)33(30)24-10-8-23-18-31-15-14-21(23)16-24/h6-19,28H,5,30H2,1-4H3,(H,32,34)