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

Systemtic Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfonyl-thiolane 1,1-dioxide Openeye Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(p-tolylsulfonyl)thiolane 1,1-dioxide CAS Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfonylthiolane 1,1-dioxide IUPAC Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfonylthiolane 1,1-dioxide Traditional Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-tosyl-sulfolane Formula: C22H27NO6S2 MolecularWeight: 465.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H27NO6S2/c1-15-4-6-18(7-5-15)31(26,27)22-14-30(24,25)13-19(22)23-9-8-16-10-20(28-2)21(29-3)11-17(16)12-23/h4-7,10-11,19,22H,8-9,12-14H2,1-3H3/t19-,22-/m0/s1