[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate CAS Name: (2R)-2-(4-nitrophenyl)sulfonylpropanoic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-methylanilino)-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate Traditional Name: (2R)-2-nosylpropionic acid [2-keto-2-(N-methylanilino)ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-13(28(25,26)16-10-8-15(9-11-16)20(23)24)18(22)27-12-17(21)19(2)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1