2-[2-methylsulfonyloxyethyl-[3-(trifluoromethyl)phenyl]amino]ethyl methanesulfonate

Systemtic Name: 2-[2-methylsulfonyloxyethyl-[3-(trifluoromethyl)phenyl]amino]ethyl methanesulfonate Openeye Name: 2-[N-(2-methylsulfonyloxyethyl)-3-(trifluoromethyl)anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-3-(trifluoromethyl)anilino]ethyl ester IUPAC Name: 2-[N-(2-methylsulfonyloxyethyl)-3-(trifluoromethyl)anilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-3-(trifluoromethyl)anilino]ethyl ester Formula: C13H18F3NO6S2 MolecularWeight: 405.41033

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C13H18F3NO6S2/c1-24(18,19)22-8-6-17(7-9-23-25(2,20)21)12-5-3-4-11(10-12)13(14,15)16/h3-5,10H,6-9H2,1-2H3