[(2S)-4-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-2-oxidanyl-butyl] methanesulfonate

Systemtic Name: [(2S)-4-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-2-oxidanyl-butyl] methanesulfonate Openeye Name: [(2S)-4-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-hydroxy-butyl] methanesulfonate CAS Name: methanesulfonic acid [(2S)-4-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-hydroxybutyl] ester IUPAC Name: [(2S)-4-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-2-hydroxybutyl] methanesulfonate Traditional Name: methanesulfonic acid [(2S)-4-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-hydroxy-butyl] ester Formula: C23H32ClNO5S MolecularWeight: 470.02188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC(CCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CS(=O)(=O)OC[C@H](CCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C23H32ClNO5S/c1-31(28,29)30-13-19(26)4-2-15-3-5-21(24)20(9-15)22(27)25-14-23-10-16-6-17(11-23)8-18(7-16)12-23/h3,5,9,16-19,26H,2,4,6-8,10-14H2,1H3,(H,25,27)/t16?,17?,18?,19-,23?/m0/s1