N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: N-[(5-acetamido-2-ethylsulfonyl-phenyl)methyl]-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: N-(5-acetamido-2-esyl-benzyl)-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C33H39N5O6S MolecularWeight: 633.75766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=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)OC(C)C

Isomeric SMILES

CCOC1=C(C=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)OC(C)C

InChI

InChI=1S/C33H39N5O6S/c1-6-43-29-18-23(8-12-28(29)44-20(3)4)31(38-26-9-11-27-22(16-26)14-15-35-32(27)34)33(40)36-19-24-17-25(37-21(5)39)10-13-30(24)45(41,42)7-2/h8-18,20,31,38H,6-7,19H2,1-5H3,(H2,34,35)(H,36,40)(H,37,39)