[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C18H19FN2O5S2 MolecularWeight: 426.482263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C18H19FN2O5S2/c1-12(18(23)21-14-4-8-16(9-5-14)28(20,24)25)26-17(22)10-11-27-15-6-2-13(19)3-7-15/h2-9,12H,10-11H2,1H3,(H,21,23)(H2,20,24,25)/t12-/m0/s1