[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-ethoxyphenoxy)butanoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-ethoxyphenoxy)butanoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 4-(2-ethoxyphenoxy)butanoate CAS Name: 4-(2-ethoxyphenoxy)butanoic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate Traditional Name: 4-(2-ethoxyphenoxy)butyric acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C21H25NO7S/c1-3-27-18-7-4-5-8-19(18)28-14-6-9-21(24)29-15-20(23)22-16-10-12-17(13-11-16)30(2,25)26/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,22,23)