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

Systemtic Name: 2-[azanyl(isoquinolin-6-yl)amino]-N-(3-cyanophenyl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: 2-[amino(6-isoquinolyl)amino]-N-(3-cyanophenyl)sulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[amino(6-isoquinolinyl)amino]-N-(3-cyanophenyl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-[amino(isoquinolin-6-yl)amino]-N-(3-cyanophenyl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[amino(6-isoquinolyl)amino]-N-(3-cyanophenyl)sulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C29H29N5O5S MolecularWeight: 559.63606

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H29N5O5S/c1-4-38-27-16-22(9-11-26(27)39-19(2)3)28(34(31)24-10-8-23-18-32-13-12-21(23)15-24)29(35)33-40(36,37)25-7-5-6-20(14-25)17-30/h5-16,18-19,28H,4,31H2,1-3H3,(H,33,35)