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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)acetamide Traditional Name: N-homoveratryl-2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetamide Formula: C28H29N3O6S MolecularWeight: 535.61136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C28H29N3O6S/c1-35-23-10-8-22(9-11-23)31(38(33,34)27-6-4-5-21-18-29-15-14-24(21)27)19-28(32)30-16-13-20-7-12-25(36-2)26(17-20)37-3/h4-12,14-15,17-18H,13,16,19H2,1-3H3,(H,30,32)