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

Systemtic Name: [3-[[2-chloranylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-chloropropanoyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(2-chloro-1-oxopropyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-chloropropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-chloropropanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H19ClFNO5S MolecularWeight: 451.895663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3)Cl

Isomeric SMILES

CC(C(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3)Cl

InChI

InChI=1S/C21H19ClFNO5S/c1-15(22)21(25)24(14-19-6-3-11-28-19)13-16-4-2-5-18(12-16)29-30(26,27)20-9-7-17(23)8-10-20/h2-12,15H,13-14H2,1H3