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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC(=C(C=C4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC(=C(C=C4)OC)OC)OC

InChI

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