ethyl (2R,3S)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)aziridine-2-carboxylate

Systemtic Name: ethyl (2R,3S)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)aziridine-2-carboxylate Openeye Name: ethyl (2R,3S)-1-(p-tolylsulfonyl)-3-(trifluoromethyl)aziridine-2-carboxylate CAS Name: (2R,3S)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)aziridine-2-carboxylate Traditional Name: (2R,3S)-1-tosyl-3-(trifluoromethyl)ethylenimine-2-carboxylic acid ethyl ester Formula: C13H14F3NO4S MolecularWeight: 337.31477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C(F)(F)F

InChI

InChI=1S/C13H14F3NO4S/c1-3-21-12(18)10-11(13(14,15)16)17(10)22(19,20)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3/t10-,11+,17?/m1/s1