[4-chloranyl-2-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[2-furylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-furanylmethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-furfuryl(isobutyryl)amino]methyl]phenyl] ester Formula: C22H21ClFNO5S MolecularWeight: 465.922243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21ClFNO5S/c1-15(2)22(26)25(14-19-4-3-11-29-19)13-16-12-17(23)5-10-21(16)30-31(27,28)20-8-6-18(24)7-9-20/h3-12,15H,13-14H2,1-2H3