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

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

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