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

Systemtic Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]acetamide CAS Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]acetamide Traditional Name: 2-(benzylthio)-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]acetamide Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S2/c1-29-21-13-19-9-11-25(15-20(19)14-22(21)30-2)32(27,28)12-6-10-24-23(26)17-31-16-18-7-4-3-5-8-18/h3-5,7-8,13-14H,6,9-12,15-17H2,1-2H3,(H,24,26)