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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetamide Traditional Name: N-homoveratryl-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O6S/c1-31-14-13-27(34(29,30)23-6-4-5-19-16-25-11-10-20(19)23)17-24(28)26-12-9-18-7-8-21(32-2)22(15-18)33-3/h4-8,10-11,15-16H,9,12-14,17H2,1-3H3,(H,26,28)