[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H22FNO5S/c1-15(20(24)22-13-11-16-5-3-2-4-6-16)27-19(23)12-14-28(25,26)18-9-7-17(21)8-10-18/h2-10,15H,11-14H2,1H3,(H,22,24)/t15-/m0/s1