[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate CAS Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Traditional Name: 3-(3,4-dimethylphenyl)sulfonylpropionic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC(=CC(=C2)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC(=CC(=C2)C)C)C

InChI

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