[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-ethanoylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetylphenyl)sulfonylamino]propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(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)CCNS(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-14-4-5-15(2)19(12-14)20(24)13-28-21(25)10-11-22-29(26,27)18-8-6-17(7-9-18)16(3)23/h4-9,12,22H,10-11,13H2,1-3H3