[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H18FN3O6S MolecularWeight: 411.404723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)/N

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/h2-3,8H,4-7,10,20H2,1H3/b13-11+