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

Systemtic Name: 2-[[4-(1-adamantyloxycarbonyloxy)phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[4-(1-adamantyloxycarbonyloxy)-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[1-adamantyloxy(oxo)methoxy]-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester IUPAC Name: 2-[4-(1-adamantyloxycarbonyloxy)-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-(1-adamantyloxycarbonyloxy)-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester Formula: C23H33NO9S2 MolecularWeight: 531.63942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO9S2/c1-34(26,27)30-9-7-24(8-10-31-35(2,28)29)20-3-5-21(6-4-20)32-22(25)33-23-14-17-11-18(15-23)13-19(12-17)16-23/h3-6,17-19H,7-16H2,1-2H3