[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (2-keto-2-mesityl-ethyl) ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C22H26N2O6S/c1-14-11-15(2)22(16(3)12-14)20(26)13-30-21(27)9-10-23-31(28,29)19-7-5-18(6-8-19)24-17(4)25/h5-8,11-12,23H,9-10,13H2,1-4H3,(H,24,25)