(phenylmethyl) 2-[[(2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonyl-aziridin-2-yl]carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonyl-aziridin-2-yl]carbonylamino]ethanoate Openeye Name: benzyl 2-[[(2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonyl-aziridine-2-carbonyl]amino]acetate CAS Name: 2-[[[(2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonyl-2-aziridinyl]-oxomethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonylaziridine-2-carbonyl]amino]acetate Traditional Name: 2-[[(2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonyl-ethylenimine-2-carbonyl]amino]acetic acid benzyl ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H19N3O7S/c1-3-21(2)19(20(26)22-13-18(25)31-14-15-9-5-4-6-10-15)23(21)32(29,30)17-12-8-7-11-16(17)24(27)28/h1,4-12,19H,13-14H2,2H3,(H,22,26)/t19-,21+,23?/m1/s1