[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] (2R)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2R)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2R)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=C(C=C(C=C1)OC)OC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)C1=C(C=C(C=C1)OC)OC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO7S/c1-14(2)20(22-30(25,26)16-8-6-5-7-9-16)21(24)29-13-18(23)17-11-10-15(27-3)12-19(17)28-4/h5-12,14,20,22H,13H2,1-4H3/t20-/m1/s1