2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-quinolin-8-ylsulfonyl-ethanamide

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-quinolin-8-ylsulfonyl-ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(8-quinolylsulfonyl)acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-(8-quinolinylsulfonyl)acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-quinolin-8-ylsulfonylacetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(8-quinolylsulfonyl)acetamide Formula: C31H31N5O5S MolecularWeight: 585.67334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C31H31N5O5S/c1-4-40-26-18-22(10-13-25(26)41-19(2)3)29(35-23-11-12-24-21(17-23)14-16-34-30(24)32)31(37)36-42(38,39)27-9-5-7-20-8-6-15-33-28(20)27/h5-19,29,35H,4H2,1-3H3,(H2,32,34)(H,36,37)