(2S)-5-oxidanylidene-2-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-decanenitrile

Systemtic Name: (2S)-5-oxidanylidene-2-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-decanenitrile Openeye Name: (2S)-5-oxo-2-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-decanenitrile CAS Name: (2S)-5-oxo-2-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonyldecanenitrile IUPAC Name: (2S)-5-oxo-2-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonyldecanenitrile Traditional Name: (2S)-5-keto-2-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-capronitrile Formula: C23H24F3NO3S MolecularWeight: 451.50177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CCC(C#N)(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCC(=O)CC[C@@](C#N)(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C23H24F3NO3S/c1-2-3-5-10-20(28)15-16-22(17-27,18-8-6-4-7-9-18)31(29,30)21-13-11-19(12-14-21)23(24,25)26/h4,6-9,11-14H,2-3,5,10,15-16H2,1H3/t22-/m1/s1