[5-[[(3-fluorophenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(3-fluorophenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3-fluorobenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(3-fluorophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3-fluorobenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C20H24FNO5S MolecularWeight: 409.471663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C20H24FNO5S/c1-14(2)12-22(20(23)16-6-5-7-17(21)11-16)13-15-8-9-18(26-3)19(10-15)27-28(4,24)25/h5-11,14H,12-13H2,1-4H3