O3-ethyl O5,O6-dimethyl 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3,5,6-tricarboxylate

Systemtic Name: O3-ethyl O5,O6-dimethyl 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3,5,6-tricarboxylate Openeye Name: O3-ethyl O5,O6-dimethyl 2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3,5,6-tricarboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3,5,6-tricarboxylic acid O3-ethyl ester O5,O6-dimethyl ester IUPAC Name: 3-O-ethyl 5-O,6-O-dimethyl 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3,5,6-tricarboxylate Traditional Name: 2-tosyl-3,4-dihydro-1H-isoquinoline-3,5,6-tricarboxylic acid O3-ethyl ester O5,O6-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=CC(=C2C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CC2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2C(=O)OC)C(=O)OC

InChI

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