[4-[[(4-fluorophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-fluorobenzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-fluorophenyl)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorobenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-fluorobenzoyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO5S/c1-28(24,25)27-18-10-4-15(5-11-18)13-22(14-19-3-2-12-26-19)20(23)16-6-8-17(21)9-7-16/h4-11,19H,2-3,12-14H2,1H3