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

Systemtic Name: N-[(1S,2R)-1-cyano-4,4,4-tris(fluoranyl)-2-methyl-butyl]-4-methyl-benzenesulfinamide Openeye Name: N-[(1S,2R)-1-cyano-4,4,4-trifluoro-2-methyl-butyl]-4-methyl-benzenesulfinamide CAS Name: N-[(1S,2R)-1-cyano-4,4,4-trifluoro-2-methylbutyl]-4-methylbenzenesulfinamide IUPAC Name: N-[(1S,2R)-1-cyano-4,4,4-trifluoro-2-methylbutyl]-4-methylbenzenesulfinamide Traditional Name: N-[(1S,2R)-1-cyano-4,4,4-trifluoro-2-methyl-butyl]-4-methyl-benzenesulfinamide Formula: C13H15F3N2OS MolecularWeight: 304.33121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N2OS/c1-9-3-5-11(6-4-9)20(19)18-12(8-17)10(2)7-13(14,15)16/h3-6,10,12,18H,7H2,1-2H3/t10-,12-,20+/m1/s1