[(2R)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate

Systemtic Name: [(2R)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate Openeye Name: [(1R)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [(1R)-2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-13(21-19(24)16-7-5-4-6-8-16)20(25)28-14(2)18(23)15-9-11-17(12-10-15)22-29(3,26)27/h4-14,22H,1-3H3,(H,21,24)/t13-,14+/m0/s1