[4-[[cyclohexylcarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[cyclohexylcarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[cyclohexanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[cyclohexyl(oxo)methyl]-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclohexanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[cyclohexanecarbonyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)F)C(=O)C3CCCCC3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)F)C(=O)C3CCCCC3

InChI

InChI=1S/C22H26FNO4S/c1-29(26,27)28-21-13-9-18(10-14-21)16-24(15-17-7-11-20(23)12-8-17)22(25)19-5-3-2-4-6-19/h7-14,19H,2-6,15-16H2,1H3