N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]acetamide CAS Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]acetamide Traditional Name: 2-(benzylthio)-N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]acetamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCNC(=O)CSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCNC(=O)CSCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O5S2/c1-28-20-12-18-8-10-24(14-19(18)13-21(20)29-2)31(26,27)11-9-23-22(25)16-30-15-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14-16H2,1-2H3,(H,23,25)