[4-(furan-2-ylcarbonylamino)phenyl] 4-chloranyl-3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-(furan-2-ylcarbonylamino)phenyl] 4-chloranyl-3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-(furan-2-carbonylamino)phenyl] 4-chloro-3-(trifluoromethyl)benzenesulfonate CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid [4-[[2-furanyl(oxo)methyl]amino]phenyl] ester IUPAC Name: [4-(furan-2-carbonylamino)phenyl] 4-chloro-3-(trifluoromethyl)benzenesulfonate Traditional Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid [4-(2-furoylamino)phenyl] ester Formula: C18H11ClF3NO5S MolecularWeight: 445.79685

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H11ClF3NO5S/c19-15-8-7-13(10-14(15)18(20,21)22)29(25,26)28-12-5-3-11(4-6-12)23-17(24)16-2-1-9-27-16/h1-10H,(H,23,24)