diethyl 2-[[(2R,3R)-3-hexyl-1-(4-methylphenyl)sulfonyl-aziridin-2-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(2R,3R)-3-hexyl-1-(4-methylphenyl)sulfonyl-aziridin-2-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[(2R,3R)-3-hexyl-1-(p-tolylsulfonyl)aziridin-2-yl]methylene]propanedioate CAS Name: 2-[[(2R,3R)-3-hexyl-1-(4-methylphenyl)sulfonyl-2-aziridinyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2R,3R)-3-hexyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methylidene]propanedioate Traditional Name: 2-[[(2R,3R)-3-hexyl-1-tosyl-ethylenimin-2-yl]methylene]malonic acid diethyl ester Formula: C23H33NO6S MolecularWeight: 451.57622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C=C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCC[C@@H]1[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C23H33NO6S/c1-5-8-9-10-11-20-21(16-19(22(25)29-6-2)23(26)30-7-3)24(20)31(27,28)18-14-12-17(4)13-15-18/h12-16,20-21H,5-11H2,1-4H3/t20-,21-,24?/m1/s1