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

Systemtic Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]acetamide CAS Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]acetamide Traditional Name: 2-(benzylthio)-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]acetamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S2/c1-28-21-9-8-20-15-24(12-10-19(20)14-21)30(26,27)13-5-11-23-22(25)17-29-16-18-6-3-2-4-7-18/h2-4,6-9,14H,5,10-13,15-17H2,1H3,(H,23,25)