[(3S)-3-cyano-5-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-3-cyano-5-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2S)-2-cyano-4-(4-fluoro-3-morpholinosulfonyl-benzoyl)oxy-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3S)-3-cyano-5-[[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-oxomethoxy]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-5-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)oxy-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-1-cyano-3-(4-fluoro-3-morpholinosulfonyl-benzoyl)oxy-2-keto-propyl]vinylammonium Formula: C17H19FN3O6S+ MolecularWeight: 412.412663

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)[NH3+]

InChI

InChI=1S/C17H18FN3O6S/c1-11(20)13(9-19)15(22)10-27-17(23)12-2-3-14(18)16(8-12)28(24,25)21-4-6-26-7-5-21/h2-3,8,13H,1,4-7,10,20H2/p+1/t13-/m1/s1