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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-homoveratryl-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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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=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4)OC

InChI

InChI=1S/C24H26N2O5S2/c1-30-21-10-9-17(14-22(21)31-2)11-12-25-24(27)20-15-18-6-3-4-7-19(18)16-26(20)33(28,29)23-8-5-13-32-23/h3-10,13-14,20H,11-12,15-16H2,1-2H3,(H,25,27)