[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C23H28N2O6S/c1-4-17-6-7-18(5-2)21(14-17)22(27)15-31-23(28)12-13-24-32(29,30)20-10-8-19(9-11-20)25-16(3)26/h6-11,14,24H,4-5,12-13,15H2,1-3H3,(H,25,26)