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

Systemtic Name: 2-[azanyl(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(phenylsulfonyl)ethanamide Openeye Name: 2-[amino(6-isoquinolyl)amino]-N-(benzenesulfonyl)-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[amino(6-isoquinolinyl)amino]-N-(benzenesulfonyl)-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-[amino(isoquinolin-6-yl)amino]-N-(benzenesulfonyl)-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[amino(6-isoquinolyl)amino]-N-besyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C28H30N4O5S MolecularWeight: 534.6266

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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)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)N(C3=CC4=C(C=C3)C=NC=C4)N)OC(C)C

InChI

InChI=1S/C28H30N4O5S/c1-4-36-26-17-21(11-13-25(26)37-19(2)3)27(28(33)31-38(34,35)24-8-6-5-7-9-24)32(29)23-12-10-22-18-30-15-14-20(22)16-23/h5-19,27H,4,29H2,1-3H3,(H,31,33)