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

Systemtic Name: 2-[[4-(1-adamantyloxycarbonyloxy)phenyl]-(2-chloroethyl)amino]ethyl methanesulfonate Openeye Name: 2-[4-(1-adamantyloxycarbonyloxy)-N-(2-chloroethyl)anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[1-adamantyloxy(oxo)methoxy]-N-(2-chloroethyl)anilino]ethyl ester IUPAC Name: 2-[4-(1-adamantyloxycarbonyloxy)-N-(2-chloroethyl)anilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-(1-adamantyloxycarbonyloxy)-N-(2-chloroethyl)anilino]ethyl ester Formula: C22H30ClNO6S MolecularWeight: 471.9947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClNO6S/c1-31(26,27)28-9-8-24(7-6-23)19-2-4-20(5-3-19)29-21(25)30-22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3