[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-tert-butylphenoxy)ethanoate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-tert-butylphenoxy)ethanoate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 2-(2-tert-butylphenoxy)acetate CAS Name: 2-(2-tert-butylphenoxy)acetic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate Traditional Name: 2-(2-tert-butylphenoxy)acetic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C21H25NO6S/c1-21(2,3)15-9-5-7-11-17(15)27-14-20(24)28-13-19(23)22-16-10-6-8-12-18(16)29(4,25)26/h5-12H,13-14H2,1-4H3,(H,22,23)