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

Systemtic Name: [4-chloranyl-2-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[isopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[(2-methyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[isobutyryl(isopropyl)amino]methyl]phenyl] ester Formula: C20H23ClFNO4S MolecularWeight: 427.917323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClFNO4S/c1-13(2)20(24)23(14(3)4)12-15-11-16(21)5-10-19(15)27-28(25,26)18-8-6-17(22)7-9-18/h5-11,13-14H,12H2,1-4H3