[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=CC=C1S(=O)(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1S(=O)(=O)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O6S/c1-13(20-18(23)14-8-4-3-5-9-14)19(24)27-12-17(22)21-15-10-6-7-11-16(15)28(2,25)26/h3-11,13H,12H2,1-2H3,(H,20,23)(H,21,22)/t13-/m0/s1