N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3,5-diethoxyphenyl)ethanamide

Systemtic Name: N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3,5-diethoxyphenyl)ethanamide Openeye Name: N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[(1-amino-6-isoquinolyl)amino]-2-(3,5-diethoxyphenyl)acetamide CAS Name: N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2-[(1-amino-6-isoquinolinyl)amino]-2-(3,5-diethoxyphenyl)acetamide IUPAC Name: N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2-[(1-aminoisoquinolin-6-yl)amino]-2-(3,5-diethoxyphenyl)acetamide Traditional Name: N-(5-acetamido-2-esyl-benzyl)-2-[(1-amino-6-isoquinolyl)amino]-2-(3,5-diethoxyphenyl)acetamide Formula: C32H37N5O6S MolecularWeight: 619.73108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)C)S(=O)(=O)CC)NC3=CC4=C(C=C3)C(=NC=C4)N)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)C)S(=O)(=O)CC)NC3=CC4=C(C=C3)C(=NC=C4)N)OCC

InChI

InChI=1S/C32H37N5O6S/c1-5-42-26-16-22(17-27(18-26)43-6-2)30(37-25-8-10-28-21(14-25)12-13-34-31(28)33)32(39)35-19-23-15-24(36-20(4)38)9-11-29(23)44(40,41)7-3/h8-18,30,37H,5-7,19H2,1-4H3,(H2,33,34)(H,35,39)(H,36,38)