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

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-N-(2-cyclopropylsulfonylbenzyl)-2-(3,4-dimethoxyphenyl)acetamide Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)NCC2=CC=CC=C2S(=O)(=O)C3CC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)NCC2=CC=CC=C2S(=O)(=O)C3CC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC

InChI

InChI=1S/C29H30N4O5S/c1-37-24-12-7-19(16-25(24)38-2)27(33-21-8-11-23-18(15-21)13-14-31-28(23)30)29(34)32-17-20-5-3-4-6-26(20)39(35,36)22-9-10-22/h3-8,11-16,22,27,33H,9-10,17H2,1-2H3,(H2,30,31)(H,32,34)