ethyl 2-chloranyl-3-[4-cyclohexyl-3-methylsulfonyl-5-(trifluoromethyl)phenyl]propanoate

Systemtic Name: ethyl 2-chloranyl-3-[4-cyclohexyl-3-methylsulfonyl-5-(trifluoromethyl)phenyl]propanoate Openeye Name: ethyl 2-chloro-3-[4-cyclohexyl-3-methylsulfonyl-5-(trifluoromethyl)phenyl]propanoate CAS Name: 2-chloro-3-[4-cyclohexyl-3-methylsulfonyl-5-(trifluoromethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-chloro-3-[4-cyclohexyl-3-methylsulfonyl-5-(trifluoromethyl)phenyl]propanoate Traditional Name: 2-chloro-3-[4-cyclohexyl-3-mesyl-5-(trifluoromethyl)phenyl]propionic acid ethyl ester Formula: C19H24ClF3O4S MolecularWeight: 440.90467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)S(=O)(=O)C)C2CCCCC2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=C1)S(=O)(=O)C)C2CCCCC2)C(F)(F)F)Cl

InChI

InChI=1S/C19H24ClF3O4S/c1-3-27-18(24)15(20)10-12-9-14(19(21,22)23)17(13-7-5-4-6-8-13)16(11-12)28(2,25)26/h9,11,13,15H,3-8,10H2,1-2H3