(4-cyanophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate

Systemtic Name: (4-cyanophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Openeye Name: (4-cyanophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propionic acid (4-cyanobenzyl) ester Formula: C18H15F3N2O4S MolecularWeight: 412.38291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O4S/c19-18(20,21)15-2-1-3-16(10-15)28(25,26)23-9-8-17(24)27-12-14-6-4-13(11-22)5-7-14/h1-7,10,23H,8-9,12H2