N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(2,5-dimethoxyphenyl)ethanamide

Systemtic Name: N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(2,5-dimethoxyphenyl)ethanamide Openeye Name: N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[(1-amino-6-isoquinolyl)amino]-2-(2,5-dimethoxyphenyl)acetamide CAS Name: N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2-[(1-amino-6-isoquinolinyl)amino]-2-(2,5-dimethoxyphenyl)acetamide IUPAC Name: N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2-[(1-aminoisoquinolin-6-yl)amino]-2-(2,5-dimethoxyphenyl)acetamide Traditional Name: N-(5-acetamido-2-esyl-benzyl)-2-[(1-amino-6-isoquinolyl)amino]-2-(2,5-dimethoxyphenyl)acetamide Formula: C30H33N5O6S MolecularWeight: 591.67792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=C(C=C1)NC(=O)C)CNC(=O)C(C2=C(C=CC(=C2)OC)OC)NC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)NC(=O)C)CNC(=O)C(C2=C(C=CC(=C2)OC)OC)NC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C30H33N5O6S/c1-5-42(38,39)27-11-7-21(34-18(2)36)15-20(27)17-33-30(37)28(25-16-23(40-3)8-10-26(25)41-4)35-22-6-9-24-19(14-22)12-13-32-29(24)31/h6-16,28,35H,5,17H2,1-4H3,(H2,31,32)(H,33,37)(H,34,36)