(2R,3S)-4-ethoxy-2-ethyl-3-[(4-nitrophenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R,3S)-4-ethoxy-2-ethyl-3-[(4-nitrophenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2R,3S)-4-ethoxy-2-ethyl-3-[(4-nitrophenyl)sulfonylamino]-4-oxo-butanoic acid CAS Name: (2R,3S)-4-ethoxy-2-ethyl-3-[(4-nitrophenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: (2R,3S)-4-ethoxy-2-ethyl-3-[(4-nitrophenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: (2R,3S)-4-ethoxy-2-ethyl-4-keto-3-(nosylamino)butyric acid Formula: C14H18N2O8S MolecularWeight: 374.36632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)OCC)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC[C@H]([C@@H](C(=O)OCC)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N2O8S/c1-3-11(13(17)18)12(14(19)24-4-2)15-25(22,23)10-7-5-9(6-8-10)16(20)21/h5-8,11-12,15H,3-4H2,1-2H3,(H,17,18)/t11-,12+/m1/s1