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

Systemtic Name: [3-[[2,2-diphenylethanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2,2-diphenylacetyl)-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-(1-oxo-2,2-diphenylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,2-diphenylacetyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2,2-diphenylacetyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C32H26FNO5S MolecularWeight: 555.615943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N(CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N(CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5

InChI

InChI=1S/C32H26FNO5S/c33-27-16-18-30(19-17-27)40(36,37)39-28-14-7-9-24(21-28)22-34(23-29-15-8-20-38-29)32(35)31(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-21,31H,22-23H2