N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-isoquinolylsulfonyl(methyl)amino]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-isoquinolinylsulfonyl(methyl)amino]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetamide Traditional Name: N-homoveratryl-2-[5-isoquinolylsulfonyl(methyl)amino]acetamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CN(CC(=O)NCCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H25N3O5S/c1-25(31(27,28)21-6-4-5-17-14-23-11-10-18(17)21)15-22(26)24-12-9-16-7-8-19(29-2)20(13-16)30-3/h4-8,10-11,13-14H,9,12,15H2,1-3H3,(H,24,26)