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

Systemtic Name: N-(4-aminophenyl)sulfonyl-2-[azanyl(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: 2-[amino(6-isoquinolyl)amino]-N-(4-aminophenyl)sulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[amino(6-isoquinolinyl)amino]-N-(4-aminophenyl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-[amino(isoquinolin-6-yl)amino]-N-(4-aminophenyl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[amino(6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-sulfanilyl-acetamide Formula: C28H31N5O5S MolecularWeight: 549.64124

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)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=C(C=C2)N)N(C3=CC4=C(C=C3)C=NC=C4)N)OC(C)C

InChI

InChI=1S/C28H31N5O5S/c1-4-37-26-16-20(6-12-25(26)38-18(2)3)27(28(34)32-39(35,36)24-10-7-22(29)8-11-24)33(30)23-9-5-21-17-31-14-13-19(21)15-23/h5-18,27H,4,29-30H2,1-3H3,(H,32,34)