[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [(1R)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [(1R)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@H](C)C(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H22FNO5S/c1-13-4-9-17(28(3,25)26)12-18(13)20(24)27-14(2)19(23)22-11-10-15-5-7-16(21)8-6-15/h4-9,12,14H,10-11H2,1-3H3,(H,22,23)/t14-/m1/s1