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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-fluorophenyl)sulfonyl-N-homoveratryl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H27FN2O5S MolecularWeight: 498.566383

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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)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H27FN2O5S/c1-33-24-12-7-18(15-25(24)34-2)13-14-28-26(30)23-16-19-5-3-4-6-20(19)17-29(23)35(31,32)22-10-8-21(27)9-11-22/h3-12,15,23H,13-14,16-17H2,1-2H3,(H,28,30)