[3-[[furan-2-ylmethyl-[4-(trifluoromethyl)phenyl]carbonyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl-[4-(trifluoromethyl)phenyl]carbonyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[2-furylmethyl-[4-(trifluoromethyl)benzoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[2-furanylmethyl-[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-[4-(trifluoromethyl)benzoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[2-furfuryl-[4-(trifluoromethyl)benzoyl]amino]methyl]phenyl] ester Formula: C27H19F6NO5S MolecularWeight: 583.498879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CN(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CN(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C27H19F6NO5S/c28-26(29,30)20-11-9-19(10-12-20)25(35)34(17-23-7-3-13-38-23)16-18-4-1-6-22(14-18)39-40(36,37)24-8-2-5-21(15-24)27(31,32)33/h1-15H,16-17H2