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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] (2R)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2R)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2R)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC(=C(C=C1)OC)OC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=CC(=C(C=C1)OC)OC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O7S/c1-14(2)20(23-31(26,27)16-8-6-5-7-9-16)21(25)30-13-19(24)22-15-10-11-17(28-3)18(12-15)29-4/h5-12,14,20,23H,13H2,1-4H3,(H,22,24)/t20-/m1/s1