[3-[[2-chloranylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-chloranylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-chloropropanoyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(2-chloro-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-chloropropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-chloropropanoyl(isobutyl)amino]methyl]phenyl] ester Formula: C20H23ClFNO4S MolecularWeight: 427.917323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClFNO4S/c1-14(2)12-23(20(24)15(3)21)13-16-5-4-6-18(11-16)27-28(25,26)19-9-7-17(22)8-10-19/h4-11,14-15H,12-13H2,1-3H3