(3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-fluorophenyl)sulfonyl-thiolane 1,1-dioxide

Systemtic Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-fluorophenyl)sulfonyl-thiolane 1,1-dioxide Openeye Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-fluorophenyl)sulfonyl-thiolane 1,1-dioxide CAS Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-fluorophenyl)sulfonylthiolane 1,1-dioxide IUPAC Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-fluorophenyl)sulfonylthiolane 1,1-dioxide Traditional Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-fluorophenyl)sulfonyl-sulfolane Formula: C21H24FNO6S2 MolecularWeight: 469.546763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CS(=O)(=O)CC3S(=O)(=O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CS(=O)(=O)C[C@@H]3S(=O)(=O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C21H24FNO6S2/c1-28-19-9-14-7-8-23(11-15(14)10-20(19)29-2)18-12-30(24,25)13-21(18)31(26,27)17-5-3-16(22)4-6-17/h3-6,9-10,18,21H,7-8,11-13H2,1-2H3/t18-,21-/m0/s1