[(2S)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2,4,6-trimethylbenzoate

Systemtic Name: [(2S)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2,4,6-trimethylbenzoate Openeye Name: [(1S)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(1S)-2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)O[C@@H](C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C

InChI

InChI=1S/C20H23NO5S/c1-12-10-13(2)18(14(3)11-12)20(23)26-15(4)19(22)16-6-8-17(9-7-16)21-27(5,24)25/h6-11,15,21H,1-5H3/t15-/m0/s1