N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-homoveratryl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H32N2O7S MolecularWeight: 540.62788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H32N2O7S/c1-34-22-10-12-25(36-3)27(17-22)38(32,33)30-18-21-8-6-5-7-20(21)16-23(30)28(31)29-14-13-19-9-11-24(35-2)26(15-19)37-4/h5-12,15,17,23H,13-14,16,18H2,1-4H3,(H,29,31)