6,7,8-trimethoxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 6,7,8-trimethoxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 6,7,8-trimethoxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 6,7,8-trimethoxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 6,7,8-trimethoxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 6,7,8-trimethoxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C20H23NO8S MolecularWeight: 437.46352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C(=C(C=C3CC2C(=O)O)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C(=C(C=C3CC2C(=O)O)OC)OC)OC

InChI

InChI=1S/C20H23NO8S/c1-26-13-5-7-14(8-6-13)30(24,25)21-11-15-12(9-16(21)20(22)23)10-17(27-2)19(29-4)18(15)28-3/h5-8,10,16H,9,11H2,1-4H3,(H,22,23)