[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S/c1-14-6-7-17(12-15(14)2)22(25)16(3)30-21(24)10-11-23-31(26,27)18-8-9-19(28-4)20(13-18)29-5/h6-9,12-13,16,23H,10-11H2,1-5H3