methyl (2S,3R)-3-(4-bromophenyl)-3-chloranyl-2-[(2-nitrophenyl)sulfonylamino]propanoate

Systemtic Name: methyl (2S,3R)-3-(4-bromophenyl)-3-chloranyl-2-[(2-nitrophenyl)sulfonylamino]propanoate Openeye Name: methyl (2S,3R)-3-(4-bromophenyl)-3-chloro-2-[(2-nitrophenyl)sulfonylamino]propanoate CAS Name: (2S,3R)-3-(4-bromophenyl)-3-chloro-2-[(2-nitrophenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-(4-bromophenyl)-3-chloro-2-[(2-nitrophenyl)sulfonylamino]propanoate Traditional Name: (2S,3R)-3-(4-bromophenyl)-3-chloro-2-[(2-nitrophenyl)sulfonylamino]propionic acid methyl ester Formula: C16H14BrClN2O6S MolecularWeight: 477.71416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrClN2O6S/c1-26-16(21)15(14(18)10-6-8-11(17)9-7-10)19-27(24,25)13-5-3-2-4-12(13)20(22)23/h2-9,14-15,19H,1H3/t14-,15-/m1/s1