dimethyl 4-butyl-2-(4-methylphenyl)sulfonyl-3-oxidanylidene-5,7-dihydro-1H-isoquinoline-6,6-dicarboxylate

Systemtic Name: dimethyl 4-butyl-2-(4-methylphenyl)sulfonyl-3-oxidanylidene-5,7-dihydro-1H-isoquinoline-6,6-dicarboxylate Openeye Name: dimethyl 4-butyl-3-oxo-2-(p-tolylsulfonyl)-5,7-dihydro-1H-isoquinoline-6,6-dicarboxylate CAS Name: 4-butyl-2-(4-methylphenyl)sulfonyl-3-oxo-5,7-dihydro-1H-isoquinoline-6,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-butyl-2-(4-methylphenyl)sulfonyl-3-oxo-5,7-dihydro-1H-isoquinoline-6,6-dicarboxylate Traditional Name: 4-butyl-3-keto-2-tosyl-5,7-dihydro-1H-isoquinoline-6,6-dicarboxylic acid dimethyl ester Formula: C24H29NO7S MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CC(CC=C2CN(C1=O)S(=O)(=O)C3=CC=C(C=C3)C)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC1=C2CC(CC=C2CN(C1=O)S(=O)(=O)C3=CC=C(C=C3)C)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H29NO7S/c1-5-6-7-19-20-14-24(22(27)31-3,23(28)32-4)13-12-17(20)15-25(21(19)26)33(29,30)18-10-8-16(2)9-11-18/h8-12H,5-7,13-15H2,1-4H3