[4-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isovaleryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H26FNO5S MolecularWeight: 423.498243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO5S/c1-16(2)14-21(24)23(12-13-27-3)15-17-4-8-19(9-5-17)28-29(25,26)20-10-6-18(22)7-11-20/h4-11,16H,12-15H2,1-3H3