6-methylsulfanyl-2-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6-methylsulfanyl-2-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6-methylsulfanyl-2-[[2-methylsulfonyl-3-(tetrahydrofuran-2-ylmethyl)imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[2-methylsulfonyl-3-(2-oxolanylmethyl)-4-imidazolyl]methyl]-6-(methylthio)-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-methylsulfanyl-2-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[2-mesyl-3-(tetrahydrofurfuryl)imidazol-4-yl]methyl]-6-(methylthio)-3,4-dihydro-1H-isoquinoline Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(CN(CC2)CC3=CN=C(N3CC4CCCO4)S(=O)(=O)C)C=C1

Isomeric SMILES

CSC1=CC2=C(CN(CC2)CC3=CN=C(N3CC4CCCO4)S(=O)(=O)C)C=C1

InChI

InChI=1S/C20H27N3O3S2/c1-27-19-6-5-16-12-22(8-7-15(16)10-19)13-17-11-21-20(28(2,24)25)23(17)14-18-4-3-9-26-18/h5-6,10-11,18H,3-4,7-9,12-14H2,1-2H3