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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-isoquinolinylsulfonyl(propyl)amino]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetamide Traditional Name: N-homoveratryl-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide Formula: C24H29N3O5S MolecularWeight: 471.56916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5S/c1-4-14-27(33(29,30)23-7-5-6-19-16-25-12-11-20(19)23)17-24(28)26-13-10-18-8-9-21(31-2)22(15-18)32-3/h5-9,11-12,15-16H,4,10,13-14,17H2,1-3H3,(H,26,28)