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

Systemtic Name: [2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[isopropyl(3-methylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[(3-methyl-1-oxobutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[isopropyl(isovaleryl)amino]methyl]phenyl] ester Formula: C21H26FNO4S MolecularWeight: 407.498843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(C)C

Isomeric SMILES

CC(C)CC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(C)C

InChI

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