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

Systemtic Name: (phenylmethyl) (4aR,8aS)-2-(4-methylphenyl)sulfonyl-1,6-bis(oxidanylidene)-3,4,4a,5-tetrahydroisoquinoline-8a-carboxylate Openeye Name: benzyl (4aR,8aS)-1,6-dioxo-2-(p-tolylsulfonyl)-3,4,4a,5-tetrahydroisoquinoline-8a-carboxylate CAS Name: (4aR,8aS)-2-(4-methylphenyl)sulfonyl-1,6-dioxo-3,4,4a,5-tetrahydroisoquinoline-8a-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4aR,8aS)-2-(4-methylphenyl)sulfonyl-1,6-dioxo-3,4,4a,5-tetrahydroisoquinoline-8a-carboxylate Traditional Name: (4aR,8aS)-1,6-diketo-2-tosyl-3,4,4a,5-tetrahydroisoquinoline-8a-carboxylic acid benzyl ester Formula: C24H23NO6S MolecularWeight: 453.50752

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]3CC(=O)C=C[C@@]3(C2=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H23NO6S/c1-17-7-9-21(10-8-17)32(29,30)25-14-12-19-15-20(26)11-13-24(19,22(25)27)23(28)31-16-18-5-3-2-4-6-18/h2-11,13,19H,12,14-16H2,1H3/t19-,24-/m1/s1