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

Systemtic Name: ethyl (2S,3R)-3-chloranyl-2-[(4-methylphenyl)sulfonylamino]-3-(3-nitrophenyl)propanoate Openeye Name: ethyl (2S,3R)-3-chloro-3-(3-nitrophenyl)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S,3R)-3-chloro-2-[(4-methylphenyl)sulfonylamino]-3-(3-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-chloro-2-[(4-methylphenyl)sulfonylamino]-3-(3-nitrophenyl)propanoate Traditional Name: (2S,3R)-3-chloro-3-(3-nitrophenyl)-2-(tosylamino)propionic acid ethyl ester Formula: C18H19ClN2O6S MolecularWeight: 426.87126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O6S/c1-3-27-18(22)17(16(19)13-5-4-6-14(11-13)21(23)24)20-28(25,26)15-9-7-12(2)8-10-15/h4-11,16-17,20H,3H2,1-2H3/t16-,17-/m1/s1