[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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