[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-keto-2-[4-[mesyl(methyl)amino]phenyl]ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-14(21-19(24)16-7-5-4-6-8-16)20(25)28-13-18(23)15-9-11-17(12-10-15)22(2)29(3,26)27/h4-12,14H,13H2,1-3H3,(H,21,24)/t14-/m0/s1