N-[(1S,2S)-1-cyano-2-fluoranyl-3-methyl-butyl]-4-methyl-benzenesulfinamide

Systemtic Name: N-[(1S,2S)-1-cyano-2-fluoranyl-3-methyl-butyl]-4-methyl-benzenesulfinamide Openeye Name: N-[(1S,2S)-1-cyano-2-fluoro-3-methyl-butyl]-4-methyl-benzenesulfinamide CAS Name: N-[(1S,2S)-1-cyano-2-fluoro-3-methylbutyl]-4-methylbenzenesulfinamide IUPAC Name: N-[(1S,2S)-1-cyano-2-fluoro-3-methylbutyl]-4-methylbenzenesulfinamide Traditional Name: N-[(1S,2S)-1-cyano-2-fluoro-3-methyl-butyl]-4-methyl-benzenesulfinamide Formula: C13H17FN2OS MolecularWeight: 268.350283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(C#N)C(C(C)C)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)N[C@@H](C#N)[C@H](C(C)C)F

InChI

InChI=1S/C13H17FN2OS/c1-9(2)13(14)12(8-15)16-18(17)11-6-4-10(3)5-7-11/h4-7,9,12-13,16H,1-3H3/t12-,13-,18?/m0/s1