2-methyl-6-(3-methylsulfonylsulfanylpropoxy)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-methyl-6-(3-methylsulfonylsulfanylpropoxy)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methyl-6-(3-methylsulfonylsulfanylpropoxy)-3,4-dihydro-1H-isoquinoline CAS Name: 2-methyl-6-[3-(methylsulfonylthio)propoxy]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-methyl-6-(3-methylsulfonylsulfanylpropoxy)-3,4-dihydro-1H-isoquinoline Traditional Name: 6-[3-(mesylthio)propoxy]-2-methyl-3,4-dihydro-1H-isoquinoline Formula: C14H21NO3S2 MolecularWeight: 315.45144

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=CC(=C2)OCCCSS(=O)(=O)C

Isomeric SMILES

CN1CCC2=C(C1)C=CC(=C2)OCCCSS(=O)(=O)C

InChI

InChI=1S/C14H21NO3S2/c1-15-7-6-12-10-14(5-4-13(12)11-15)18-8-3-9-19-20(2,16)17/h4-5,10H,3,6-9,11H2,1-2H3