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

Systemtic Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-thiophen-2-ylsulfonyl-thiolane 1,1-dioxide Openeye Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(2-thienylsulfonyl)thiolane 1,1-dioxide CAS Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-thiophen-2-ylsulfonylthiolane 1,1-dioxide IUPAC Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-thiophen-2-ylsulfonylthiolane 1,1-dioxide Traditional Name: (3S,4R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(2-thienylsulfonyl)sulfolane Formula: C19H23NO6S3 MolecularWeight: 457.58402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CS(=O)(=O)CC3S(=O)(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CS(=O)(=O)C[C@@H]3S(=O)(=O)C4=CC=CS4)OC

InChI

InChI=1S/C19H23NO6S3/c1-25-16-8-13-5-6-20(10-14(13)9-17(16)26-2)15-11-28(21,22)12-18(15)29(23,24)19-4-3-7-27-19/h3-4,7-9,15,18H,5-6,10-12H2,1-2H3/t15-,18-/m0/s1