(3R)-6,7-dimethoxy-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-6,7-dimethoxy-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-(benzenesulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-(benzenesulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-(benzenesulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-besyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(C(CC2=C1)C(=O)O)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN([C@H](CC2=C1)C(=O)O)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C18H19NO6S/c1-24-16-9-12-8-15(18(20)21)19(11-13(12)10-17(16)25-2)26(22,23)14-6-4-3-5-7-14/h3-7,9-10,15H,8,11H2,1-2H3,(H,20,21)/t15-/m1/s1