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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetamide Traditional Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-homoveratryl-acetamide Formula: C27H26FN3O5S MolecularWeight: 523.575843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)OC

InChI

InChI=1S/C27H26FN3O5S/c1-35-24-11-6-19(16-25(24)36-2)12-15-30-27(32)18-31(22-9-7-21(28)8-10-22)37(33,34)26-5-3-4-20-17-29-14-13-23(20)26/h3-11,13-14,16-17H,12,15,18H2,1-2H3,(H,30,32)