[4-[[(4-fluorophenyl)methyl-pyridin-4-ylcarbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)methyl-pyridin-4-ylcarbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-(pyridine-4-carbonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-fluorophenyl)methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-(pyridine-4-carbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-fluorobenzyl)-isonicotinoyl-amino]methyl]phenyl] ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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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)C3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)F)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H19FN2O4S/c1-29(26,27)28-20-8-4-17(5-9-20)15-24(14-16-2-6-19(22)7-3-16)21(25)18-10-12-23-13-11-18/h2-13H,14-15H2,1H3