[4-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-fluorophenyl)methyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-fluorobenzyl)-isobutyryl-amino]methyl]phenyl] ester Formula: C19H22FNO4S MolecularWeight: 379.445683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FNO4S/c1-14(2)19(22)21(12-15-4-8-17(20)9-5-15)13-16-6-10-18(11-7-16)25-26(3,23)24/h4-11,14H,12-13H2,1-3H3