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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H25NO7S/c1-14-5-6-16(11-15(14)2)18(23)13-29-21(24)9-10-22-30(25,26)17-7-8-19(27-3)20(12-17)28-4/h5-8,11-12,22H,9-10,13H2,1-4H3