(phenylmethyl) (2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonyl-aziridine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonyl-aziridine-2-carboxylate Openeye Name: benzyl (2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonyl-aziridine-2-carboxylate CAS Name: (2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonyl-2-aziridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonylaziridine-2-carboxylate Traditional Name: (2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonyl-ethylenimine-2-carboxylic acid benzyl ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3=CC=CC=C3)C#C

Isomeric SMILES

C[C@@]1([C@H](N1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3=CC=CC=C3)C#C

InChI

InChI=1S/C19H16N2O6S/c1-3-19(2)17(18(22)27-13-14-9-5-4-6-10-14)20(19)28(25,26)16-12-8-7-11-15(16)21(23)24/h1,4-12,17H,13H2,2H3/t17-,19+,20?/m1/s1