2-[[4-(1-adamantyloxycarbonyloxy)-2-fluoranyl-phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate

Systemtic Name: 2-[[4-(1-adamantyloxycarbonyloxy)-2-fluoranyl-phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[4-(1-adamantyloxycarbonyloxy)-2-fluoro-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[1-adamantyloxy(oxo)methoxy]-2-fluoro-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester IUPAC Name: 2-[4-(1-adamantyloxycarbonyloxy)-2-fluoro-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-(1-adamantyloxycarbonyloxy)-2-fluoro-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester Formula: C23H32FNO9S2 MolecularWeight: 549.629883

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=C(C=C(C=C1)OC(=O)OC23CC4CC(C2)CC(C4)C3)F

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=C(C=C(C=C1)OC(=O)OC23CC4CC(C2)CC(C4)C3)F

InChI

InChI=1S/C23H32FNO9S2/c1-35(27,28)31-7-5-25(6-8-32-36(2,29)30)21-4-3-19(12-20(21)24)33-22(26)34-23-13-16-9-17(14-23)11-18(10-16)15-23/h3-4,12,16-18H,5-11,13-15H2,1-2H3