[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propionic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)[C@H](C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

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