2-[[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]methoxy]ethyl methanesulfonate

Systemtic Name: 2-[[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]methoxy]ethyl methanesulfonate Openeye Name: 2-[[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]methoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]methoxy]ethyl ester IUPAC Name: 2-[[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]methoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-benzyl]oxyethyl ester Formula: C22H30ClNO5S MolecularWeight: 455.9953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCOCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)OCCOCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30ClNO5S/c1-30(26,27)29-5-4-28-13-15-2-3-20(23)19(9-15)21(25)24-14-22-10-16-6-17(11-22)8-18(7-16)12-22/h2-3,9,16-18H,4-8,10-14H2,1H3,(H,24,25)