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

Systemtic Name: [(2R)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [(1R)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [(1R)-2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)[C@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C19H21NO5S2/c1-13(25-19(22)14(2)26-17-7-5-4-6-8-17)18(21)15-9-11-16(12-10-15)20-27(3,23)24/h4-14,20H,1-3H3/t13-,14+/m1/s1