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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(mesitylsulfonylamino)propionic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)OC)C

InChI

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