ethyl (2S,3S)-2-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl (2S,3S)-2-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: ethyl (2S,3S)-3-hydroxy-3-(4-nitrophenyl)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoate Traditional Name: (2S,3S)-3-hydroxy-3-(4-nitrophenyl)-2-(tosylamino)propionic acid ethyl ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])O)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H20N2O7S/c1-3-27-18(22)16(17(21)13-6-8-14(9-7-13)20(23)24)19-28(25,26)15-10-4-12(2)5-11-15/h4-11,16-17,19,21H,3H2,1-2H3/t16-,17-/m0/s1