diethyl 2-[(4aR,6R,8aS)-2-(4-methylphenyl)sulfonyl-4-propan-2-ylidene-1,3,4a,5,6,8a-hexahydroisoquinolin-6-yl]propanedioate

Systemtic Name: diethyl 2-[(4aR,6R,8aS)-2-(4-methylphenyl)sulfonyl-4-propan-2-ylidene-1,3,4a,5,6,8a-hexahydroisoquinolin-6-yl]propanedioate Openeye Name: diethyl 2-[(4aR,6R,8aS)-4-isopropylidene-2-(p-tolylsulfonyl)-1,3,4a,5,6,8a-hexahydroisoquinolin-6-yl]propanedioate CAS Name: 2-[(4aR,6R,8aS)-2-(4-methylphenyl)sulfonyl-4-propan-2-ylidene-1,3,4a,5,6,8a-hexahydroisoquinolin-6-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4aR,6R,8aS)-2-(4-methylphenyl)sulfonyl-4-propan-2-ylidene-1,3,4a,5,6,8a-hexahydroisoquinolin-6-yl]propanedioate Traditional Name: 2-[(4aR,6R,8aS)-4-isopropylidene-2-tosyl-1,3,4a,5,6,8a-hexahydroisoquinolin-6-yl]malonic acid diethyl ester Formula: C26H35NO6S MolecularWeight: 489.6242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CC2C(CN(CC2=C(C)C)S(=O)(=O)C3=CC=C(C=C3)C)C=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@@H]1C[C@@H]2[C@@H](CN(CC2=C(C)C)S(=O)(=O)C3=CC=C(C=C3)C)C=C1)C(=O)OCC

InChI

InChI=1S/C26H35NO6S/c1-6-32-25(28)24(26(29)33-7-2)19-10-11-20-15-27(16-23(17(3)4)22(20)14-19)34(30,31)21-12-8-18(5)9-13-21/h8-13,19-20,22,24H,6-7,14-16H2,1-5H3/t19-,20+,22+/m0/s1