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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4-dimethylphenyl)sulfonylamino]propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,4-dimethylphenyl)sulfonylamino]propionic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=C(C=CC(=C2)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=C(C=CC(=C2)C)C)C

InChI

InChI=1S/C21H25NO5S/c1-14-6-8-20(17(4)11-14)28(25,26)22-10-9-21(24)27-13-19(23)18-12-15(2)5-7-16(18)3/h5-8,11-12,22H,9-10,13H2,1-4H3