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

Systemtic Name: N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]acetamide CAS Name: N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]acetamide Traditional Name: 2-(benzylthio)-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]acetamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)S(=O)(=O)CCNC(=O)CSCC3=CC=CC=C3)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)S(=O)(=O)CCNC(=O)CSCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H26N2O4S2/c1-27-20-8-7-19-14-23(11-9-18(19)13-20)29(25,26)12-10-22-21(24)16-28-15-17-5-3-2-4-6-17/h2-8,13H,9-12,14-16H2,1H3,(H,22,24)