4-octylsulfonylbutyl N-[4-(trifluoromethyl)phenyl]carbonylcarbamate

Systemtic Name: 4-octylsulfonylbutyl N-[4-(trifluoromethyl)phenyl]carbonylcarbamate Openeye Name: 4-octylsulfonylbutyl N-[4-(trifluoromethyl)benzoyl]carbamate CAS Name: N-[oxo-[4-(trifluoromethyl)phenyl]methyl]carbamic acid 4-octylsulfonylbutyl ester IUPAC Name: 4-octylsulfonylbutyl N-[4-(trifluoromethyl)benzoyl]carbamate Traditional Name: N-[4-(trifluoromethyl)benzoyl]carbamic acid 4-octylsulfonylbutyl ester Formula: C21H30F3NO5S MolecularWeight: 465.52681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)CCCCOC(=O)NC(=O)C1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

CCCCCCCCS(=O)(=O)CCCCOC(=O)NC(=O)C1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C21H30F3NO5S/c1-2-3-4-5-6-8-15-31(28,29)16-9-7-14-30-20(27)25-19(26)17-10-12-18(13-11-17)21(22,23)24/h10-13H,2-9,14-16H2,1H3,(H,25,26,27)