[(2R,3S)-3-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-aziridin-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S)-3-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-aziridin-2-yl]methyl ethanoate Openeye Name: [(2R,3S)-3-(hydroxymethyl)-1-(p-tolylsulfonyl)aziridin-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S)-3-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-2-aziridinyl]methyl ester IUPAC Name: [(2R,3S)-3-(hydroxymethyl)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S)-3-methylol-1-tosyl-ethylenimin-2-yl]methyl ester Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C2COC(=O)C)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@@H]2COC(=O)C)CO

InChI

InChI=1S/C13H17NO5S/c1-9-3-5-11(6-4-9)20(17,18)14-12(7-15)13(14)8-19-10(2)16/h3-6,12-13,15H,7-8H2,1-2H3/t12-,13+,14?/m1/s1