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

Systemtic Name: diethyl 2-[[(2S,3R)-3-hexyl-1-(4-methylphenyl)sulfonyl-aziridin-2-yl]-tributylstannyl-methyl]propanedioate Openeye Name: diethyl 2-[[(2S,3R)-3-hexyl-1-(p-tolylsulfonyl)aziridin-2-yl]-tributylstannyl-methyl]propanedioate CAS Name: 2-[[(2S,3R)-3-hexyl-1-(4-methylphenyl)sulfonyl-2-aziridinyl]-tributylstannylmethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2S,3R)-3-hexyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]-tributylstannylmethyl]propanedioate Traditional Name: 2-[[(2S,3R)-3-hexyl-1-tosyl-ethylenimin-2-yl]-tributylstannyl-methyl]malonic acid diethyl ester Formula: C35H61NO6SSn MolecularWeight: 742.63694

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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)[Sn](CCCC)(CCCC)CCCC

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)[Sn](CCCC)(CCCC)CCCC

InChI

InChI=1S/C23H34NO6S.3C4H9.Sn/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;3*1-3-4-2;/h12-16,19-21H,5-11H2,1-4H3;3*1,3-4H2,2H3;/t20-,21-,24?;;;;/m1..../s1