2-[(1-azanylisoquinolin-6-yl)amino]-2-(3,4-dimethoxyphenyl)-N-[(2-propan-2-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3,4-dimethoxyphenyl)-N-[(2-propan-2-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3,4-dimethoxyphenyl)-N-[(2-isopropylsulfonylphenyl)methyl]acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3,4-dimethoxyphenyl)-N-[(2-propan-2-ylsulfonylphenyl)methyl]acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3,4-dimethoxyphenyl)-N-[(2-propan-2-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3,4-dimethoxyphenyl)-N-(2-isopropylsulfonylbenzyl)acetamide Formula: C29H32N4O5S MolecularWeight: 548.65318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)C(C2=CC(=C(C=C2)OC)OC)NC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)C(C2=CC(=C(C=C2)OC)OC)NC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C29H32N4O5S/c1-18(2)39(35,36)26-8-6-5-7-21(26)17-32-29(34)27(20-9-12-24(37-3)25(16-20)38-4)33-22-10-11-23-19(15-22)13-14-31-28(23)30/h5-16,18,27,33H,17H2,1-4H3,(H2,30,31)(H,32,34)