[4-[[(2-fluorophenyl)carbonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(2-fluorophenyl)carbonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-fluorobenzoyl)-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2-fluorophenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-fluorobenzoyl)-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2-fluorobenzoyl)-isoamyl-amino]methyl]phenyl] ester Formula: C20H24FNO4S MolecularWeight: 393.472263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C20H24FNO4S/c1-15(2)12-13-22(20(23)18-6-4-5-7-19(18)21)14-16-8-10-17(11-9-16)26-27(3,24)25/h4-11,15H,12-14H2,1-3H3