[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C)C

InChI

InChI=1S/C20H22O5S/c1-12-9-14(3)18(10-13(12)2)19(21)15(4)25-20(22)16-7-6-8-17(11-16)26(5,23)24/h6-11,15H,1-5H3/t15-/m0/s1