N-[(2R)-2-cyano-3-methyl-butan-2-yl]-4-fluoranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-4-fluoranyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-4-fluoro-3-nitro-benzenesulfonamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-4-fluoro-3-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-4-fluoro-3-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-4-fluoro-3-nitro-benzenesulfonamide Formula: C12H14FN3O4S MolecularWeight: 315.320663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@](C)(C#N)NS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C12H14FN3O4S/c1-8(2)12(3,7-14)15-21(19,20)9-4-5-10(13)11(6-9)16(17)18/h4-6,8,15H,1-3H3/t12-/m0/s1