5-bromanyl-7,8-dimethoxy-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 5-bromanyl-7,8-dimethoxy-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-5-bromo-7,8-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-(benzenesulfonyl)-5-bromo-7,8-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-(benzenesulfonyl)-5-bromo-7,8-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-besyl-5-bromo-7,8-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C18H18BrNO6S MolecularWeight: 456.30762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CCN(C(C2=C1OC)C(=O)O)S(=O)(=O)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=CC(=C2CCN(C(C2=C1OC)C(=O)O)S(=O)(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C18H18BrNO6S/c1-25-14-10-13(19)12-8-9-20(16(18(21)22)15(12)17(14)26-2)27(23,24)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,21,22)