methyl (2S)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine-2-carboxylate

Systemtic Name: methyl (2S)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine-2-carboxylate Openeye Name: methyl (2S)-1-(p-tolylsulfonyl)-2-(trifluoromethyl)aziridine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine-2-carboxylate Traditional Name: (2S)-1-tosyl-2-(trifluoromethyl)ethylenimine-2-carboxylic acid methyl ester Formula: C12H12F3NO4S MolecularWeight: 323.28819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC2(C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@]2(C(=O)OC)C(F)(F)F

InChI

InChI=1S/C12H12F3NO4S/c1-8-3-5-9(6-4-8)21(18,19)16-7-11(16,10(17)20-2)12(13,14)15/h3-6H,7H2,1-2H3/t11-,16?/m0/s1