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

Systemtic Name: [4-[[(4-fluorophenyl)methyl-hexanoyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-hexanoyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-fluorophenyl)methyl-(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-hexanoylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[caproyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C21H26FNO4S MolecularWeight: 407.498843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C21H26FNO4S/c1-3-4-5-6-21(24)23(15-17-7-11-19(22)12-8-17)16-18-9-13-20(14-10-18)27-28(2,25)26/h7-14H,3-6,15-16H2,1-2H3