methyl 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid methyl ester Formula: C14H13F6NO4S MolecularWeight: 405.312739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1CCCN1S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C14H13F6NO4S/c1-25-12(22)11-3-2-4-21(11)26(23,24)10-6-8(13(15,16)17)5-9(7-10)14(18,19)20/h5-7,11H,2-4H2,1H3