methyl 2-(4-methylphenyl)sulfonyl-1,6-bis(oxidanylidene)-3,4,4a,5-tetrahydroisoquinoline-8a-carboxylate

Systemtic Name: methyl 2-(4-methylphenyl)sulfonyl-1,6-bis(oxidanylidene)-3,4,4a,5-tetrahydroisoquinoline-8a-carboxylate Openeye Name: methyl 1,6-dioxo-2-(p-tolylsulfonyl)-3,4,4a,5-tetrahydroisoquinoline-8a-carboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-1,6-dioxo-3,4,4a,5-tetrahydroisoquinoline-8a-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylphenyl)sulfonyl-1,6-dioxo-3,4,4a,5-tetrahydroisoquinoline-8a-carboxylate Traditional Name: 1,6-diketo-2-tosyl-3,4,4a,5-tetrahydroisoquinoline-8a-carboxylic acid methyl ester Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3CC(=O)C=CC3(C2=O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3CC(=O)C=CC3(C2=O)C(=O)OC

InChI

InChI=1S/C18H19NO6S/c1-12-3-5-15(6-4-12)26(23,24)19-10-8-13-11-14(20)7-9-18(13,16(19)21)17(22)25-2/h3-7,9,13H,8,10-11H2,1-2H3