[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]ethanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid (2-keto-2-mesityl-ethyl) ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C20H20N2O5S/c1-13-8-14(2)20(15(3)9-13)18(23)12-27-19(24)11-22-28(25,26)17-6-4-16(10-21)5-7-17/h4-9,22H,11-12H2,1-3H3