[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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