[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [(1S)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C21H24FNO5S/c1-13-11-14(2)20(15(3)12-13)23-21(25)16(4)28-19(24)9-10-29(26,27)18-7-5-17(22)6-8-18/h5-8,11-12,16H,9-10H2,1-4H3,(H,23,25)/t16-/m0/s1