[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propionic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C21H23NO6S/c1-13-5-6-14(2)19(11-13)20(24)12-28-21(25)15(3)22-29(26,27)18-9-7-17(8-10-18)16(4)23/h5-11,15,22H,12H2,1-4H3/t15-/m0/s1