[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O6S/c1-13(20-19(25)22-14-7-4-3-5-8-14)18(24)28-12-17(23)21-15-9-6-10-16(11-15)29(2,26)27/h3-11,13H,12H2,1-2H3,(H,21,23)(H2,20,22,25)/t13-/m0/s1