[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate CAS Name: (2S)-2-(4-nitrophenyl)sulfonylpropanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate Traditional Name: (2S)-2-nosylpropionic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)[C@H](C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c1-12(17(21)19-14-6-4-3-5-7-14)27-18(22)13(2)28(25,26)16-10-8-15(9-11-16)20(23)24/h3-13H,1-2H3,(H,19,21)/t12-,13+/m1/s1