2-[2-methylsulfonyloxyethyl-[4-nitro-3-(trifluoromethyl)phenyl]amino]ethyl methanesulfonate

Systemtic Name: 2-[2-methylsulfonyloxyethyl-[4-nitro-3-(trifluoromethyl)phenyl]amino]ethyl methanesulfonate Openeye Name: 2-[N-(2-methylsulfonyloxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethyl ester IUPAC Name: 2-[N-(2-methylsulfonyloxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethyl ester Formula: C13H17F3N2O8S2 MolecularWeight: 450.40789

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H17F3N2O8S2/c1-27(21,22)25-7-5-17(6-8-26-28(2,23)24)10-3-4-12(18(19)20)11(9-10)13(14,15)16/h3-4,9H,5-8H2,1-2H3