[4-[[3,3-dimethylbutanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3,3-dimethylbutanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3,3-dimethylbutanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(3,3-dimethyl-1-oxobutyl)-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[3,3-dimethylbutanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3,3-dimethylbutanoyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C21H26FNO4S MolecularWeight: 407.498843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO4S/c1-21(2,3)13-20(24)23(14-16-5-9-18(22)10-6-16)15-17-7-11-19(12-8-17)27-28(4,25)26/h5-12H,13-15H2,1-4H3