[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC(=C(C=C2C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC(=C(C=C2C)C)C

InChI

InChI=1S/C22H27NO6S/c1-5-28-18-6-8-19(9-7-18)30(26,27)23-11-10-22(25)29-14-21(24)20-13-16(3)15(2)12-17(20)4/h6-9,12-13,23H,5,10-11,14H2,1-4H3