[(2R)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [(1R)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [(1R)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S/c1-4-20(15-8-6-5-7-9-15)18(22)13(2)28-19(23)14-10-11-17(29(3,26)27)16(12-14)21(24)25/h5-13H,4H2,1-3H3/t13-/m1/s1