cyanomethyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate

Systemtic Name: cyanomethyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Openeye Name: cyanomethyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate CAS Name: 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Traditional Name: 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyric acid cyanomethyl ester Formula: C13H13F3N2O4S MolecularWeight: 350.31353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCCC(=O)OCC#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCCC(=O)OCC#N)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O4S/c14-13(15,16)10-3-1-4-11(9-10)23(20,21)18-7-2-5-12(19)22-8-6-17/h1,3-4,9,18H,2,5,7-8H2