[1-[2-[2-(4-fluorophenyl)-2-adamantyl]ethanoyl]azetidin-3-yl] methanesulfonate

Systemtic Name: [1-[2-[2-(4-fluorophenyl)-2-adamantyl]ethanoyl]azetidin-3-yl] methanesulfonate Openeye Name: [1-[2-[2-(4-fluorophenyl)-2-adamantyl]acetyl]azetidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-[2-[2-(4-fluorophenyl)-2-adamantyl]-1-oxoethyl]-3-azetidinyl] ester IUPAC Name: [1-[2-[2-(4-fluorophenyl)-2-adamantyl]acetyl]azetidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[2-[2-(4-fluorophenyl)-2-adamantyl]acetyl]azetidin-3-yl] ester Formula: C22H28FNO4S MolecularWeight: 421.525423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)F

Isomeric SMILES

CS(=O)(=O)OC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H28FNO4S/c1-29(26,27)28-20-12-24(13-20)21(25)11-22(16-2-4-19(23)5-3-16)17-7-14-6-15(9-17)10-18(22)8-14/h2-5,14-15,17-18,20H,6-13H2,1H3