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

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

Isomeric SMILES

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

InChI

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