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

Systemtic Name: tert-butyl 2-[[(2S,3S)-3-ethynyl-3-methyl-1-(2-nitrophenyl)sulfonyl-aziridin-2-yl]carbonylamino]ethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C18H21N3O7S MolecularWeight: 423.44024

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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)OC(C)(C)C)C#C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7S/c1-6-18(5)15(16(23)19-11-14(22)28-17(2,3)4)20(18)29(26,27)13-10-8-7-9-12(13)21(24)25/h1,7-10,15H,11H2,2-5H3,(H,19,23)/t15-,18+,20?/m1/s1