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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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