2-methyl-6-(5-methylsulfonylsulfanylpentoxy)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-methyl-6-(5-methylsulfonylsulfanylpentoxy)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methyl-6-(5-methylsulfonylsulfanylpentoxy)-3,4-dihydro-1H-isoquinoline CAS Name: 2-methyl-6-[5-(methylsulfonylthio)pentoxy]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-methyl-6-(5-methylsulfonylsulfanylpentoxy)-3,4-dihydro-1H-isoquinoline Traditional Name: 6-[5-(mesylthio)pentoxy]-2-methyl-3,4-dihydro-1H-isoquinoline Formula: C16H25NO3S2 MolecularWeight: 343.5046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3S2/c1-17-9-8-14-12-16(7-6-15(14)13-17)20-10-4-3-5-11-21-22(2,18)19/h6-7,12H,3-5,8-11,13H2,1-2H3