N-[(2-azanyl-1H-benzimidazol-4-yl)sulfonyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: N-[(2-azanyl-1H-benzimidazol-4-yl)sulfonyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: N-[(2-amino-1H-benzimidazol-4-yl)sulfonyl]-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: N-[(2-amino-1H-benzimidazol-4-yl)sulfonyl]-2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: N-[(2-amino-1H-benzimidazol-4-yl)sulfonyl]-2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: N-[(2-amino-1H-benzimidazol-4-yl)sulfonyl]-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C29H31N7O5S MolecularWeight: 589.66534

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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=C(N3)N)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=C(N3)N)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C29H31N7O5S/c1-4-40-23-15-18(8-11-22(23)41-16(2)3)25(33-19-9-10-20-17(14-19)12-13-32-27(20)30)28(37)36-42(38,39)24-7-5-6-21-26(24)35-29(31)34-21/h5-16,25,33H,4H2,1-3H3,(H2,30,32)(H,36,37)(H3,31,34,35)