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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]propionic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO6S/c1-13-5-6-14(2)18(11-13)19(22)12-27-20(23)15(3)21-28(24,25)17-9-7-16(26-4)8-10-17/h5-11,15,21H,12H2,1-4H3/t15-/m0/s1