[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O5S/c1-15(2)18-12-8-9-13-19(18)23-20(25)14-29-22(26)21(16(3)4)24-30(27,28)17-10-6-5-7-11-17/h5-13,15-16,21,24H,14H2,1-4H3,(H,23,25)/t21-/m0/s1