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

Systemtic Name: [4-[[3-chloranylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[3-chloropropanoyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(3-chloro-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-chloropropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[3-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=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClFNO4S/c1-15(2)13-23(20(24)11-12-21)14-16-3-7-18(8-4-16)27-28(25,26)19-9-5-17(22)6-10-19/h3-10,15H,11-14H2,1-2H3