[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-4-17-7-9-18(10-8-17)19(23)14-27-21(24)11-12-22-28(25,26)20-13-15(2)5-6-16(20)3/h5-10,13,22H,4,11-12,14H2,1-3H3