[(1S)-1-(4-fluorophenyl)ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [(1S)-1-(4-fluorophenyl)ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [(1S)-1-(4-fluorophenyl)ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(1S)-1-(4-fluorophenyl)ethyl] ester IUPAC Name: [(1S)-1-(4-fluorophenyl)ethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [(1S)-1-(4-fluorophenyl)ethyl] ester Formula: C17H17FO4S MolecularWeight: 336.377883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C17H17FO4S/c1-11-4-9-15(23(3,20)21)10-16(11)17(19)22-12(2)13-5-7-14(18)8-6-13/h4-10,12H,1-3H3/t12-/m0/s1