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

Systemtic Name: [3-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(2-methyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isobutyryl(isopropyl)amino]methyl]phenyl] ester Formula: C20H24FNO4S MolecularWeight: 393.472263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO4S/c1-14(2)20(23)22(15(3)4)13-16-6-5-7-18(12-16)26-27(24,25)19-10-8-17(21)9-11-19/h5-12,14-15H,13H2,1-4H3