ethyl 2-[methylsulfonyl-[4-phenylsulfanyl-2-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name: ethyl 2-[methylsulfonyl-[4-phenylsulfanyl-2-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: ethyl 2-[N-methylsulfonyl-4-phenylsulfanyl-2-(trifluoromethyl)anilino]propanoate CAS Name: 2-[N-methylsulfonyl-4-(phenylthio)-2-(trifluoromethyl)anilino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[N-methylsulfonyl-4-phenylsulfanyl-2-(trifluoromethyl)anilino]propanoate Traditional Name: 2-[N-mesyl-4-(phenylthio)-2-(trifluoromethyl)anilino]propionic acid ethyl ester Formula: C19H20F3NO4S2 MolecularWeight: 447.49161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N(C1=C(C=C(C=C1)SC2=CC=CC=C2)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C(C)N(C1=C(C=C(C=C1)SC2=CC=CC=C2)C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C19H20F3NO4S2/c1-4-27-18(24)13(2)23(29(3,25)26)17-11-10-15(12-16(17)19(20,21)22)28-14-8-6-5-7-9-14/h5-13H,4H2,1-3H3