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

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-[(3-methylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-[(3-methylsulfonylphenyl)methyl]acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[(3-methylsulfonylphenyl)methyl]acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[(3-methylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(3-mesylbenzyl)acetamide Formula: C30H34N4O5S MolecularWeight: 562.67976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O5S/c1-5-38-27-17-22(9-12-26(27)39-19(2)3)28(34-23-10-11-25-21(16-23)13-14-32-29(25)31)30(35)33-18-20-7-6-8-24(15-20)40(4,36)37/h6-17,19,28,34H,5,18H2,1-4H3,(H2,31,32)(H,33,35)