4,5-dimethoxy-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid Openeye Name: 4,5-dimethoxy-2-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid CAS Name: 4,5-dimethoxy-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid Traditional Name: 4,5-dimethoxy-2-(2-tosyl-3,4-dihydro-1H-isoquinolin-4-yl)benzoic acid Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C3=CC=CC=C3C2)C4=CC(=C(C=C4C(=O)O)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C3=CC=CC=C3C2)C4=CC(=C(C=C4C(=O)O)OC)OC

InChI

InChI=1S/C25H25NO6S/c1-16-8-10-18(11-9-16)33(29,30)26-14-17-6-4-5-7-19(17)22(15-26)20-12-23(31-2)24(32-3)13-21(20)25(27)28/h4-13,22H,14-15H2,1-3H3,(H,27,28)