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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=CC=C3)C(=O)O)OC

InChI

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