O3-ethyl O6,O7-dimethyl 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3,6,7-tricarboxylate

Systemtic Name: O3-ethyl O6,O7-dimethyl 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3,6,7-tricarboxylate Openeye Name: O3-ethyl O6,O7-dimethyl 2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3,6,7-tricarboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3,6,7-tricarboxylic acid O3-ethyl ester O6,O7-dimethyl ester IUPAC Name: 3-O-ethyl 6-O,7-O-dimethyl 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3,6,7-tricarboxylate Traditional Name: 2-tosyl-3,4-dihydro-1H-isoquinoline-3,6,7-tricarboxylic acid O3-ethyl ester O6,O7-dimethyl ester Formula: C23H25NO8S MolecularWeight: 475.5115

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CC2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H25NO8S/c1-5-32-23(27)20-12-15-10-18(21(25)30-3)19(22(26)31-4)11-16(15)13-24(20)33(28,29)17-8-6-14(2)7-9-17/h6-11,20H,5,12-13H2,1-4H3