ethyl 2-[(2S)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridin-2-yl]-2-oxidanyl-ethanoate

Systemtic Name: ethyl 2-[(2S)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridin-2-yl]-2-oxidanyl-ethanoate Openeye Name: ethyl 2-hydroxy-2-[(2S)-1-(p-tolylsulfonyl)-2-(trifluoromethyl)aziridin-2-yl]acetate CAS Name: 2-hydroxy-2-[(2S)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-2-aziridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2-[(2S)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridin-2-yl]acetate Traditional Name: 2-hydroxy-2-[(2S)-1-tosyl-2-(trifluoromethyl)ethylenimin-2-yl]acetic acid ethyl ester Formula: C14H16F3NO5S MolecularWeight: 367.34075

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(CN1S(=O)(=O)C2=CC=C(C=C2)C)C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C([C@@]1(CN1S(=O)(=O)C2=CC=C(C=C2)C)C(F)(F)F)O

InChI

InChI=1S/C14H16F3NO5S/c1-3-23-12(20)11(19)13(14(15,16)17)8-18(13)24(21,22)10-6-4-9(2)5-7-10/h4-7,11,19H,3,8H2,1-2H3/t11?,13-,18?/m0/s1