[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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