[(1R)-2-oxidanylidene-1,2-diphenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [(1R)-2-oxidanylidene-1,2-diphenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [(1R)-2-oxo-1,2-diphenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [(1R)-2-oxo-1,2-diphenylethyl] ester IUPAC Name: [(1R)-2-oxo-1,2-diphenylethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [(1R)-2-keto-1,2-diphenyl-ethyl] ester Formula: C22H17NO7S MolecularWeight: 439.43788

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO7S/c1-31(28,29)19-13-12-17(14-18(19)23(26)27)22(25)30-21(16-10-6-3-7-11-16)20(24)15-8-4-2-5-9-15/h2-14,21H,1H3/t21-/m1/s1