[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate CAS Name: (2S)-2-(4-nitrophenyl)sulfonylpropanoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate Traditional Name: (2S)-2-nosylpropionic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)[C@H](C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S/c1-11-9-16(12(2)19(11)4)17(21)10-27-18(22)13(3)28(25,26)15-7-5-14(6-8-15)20(23)24/h5-9,13H,10H2,1-4H3/t13-/m0/s1