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

Systemtic Name: [3-[[furan-2-ylmethyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl-(4-phenylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(4-phenylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C31H24FNO5S MolecularWeight: 541.589363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H24FNO5S/c32-27-15-17-30(18-16-27)39(35,36)38-28-9-4-6-23(20-28)21-33(22-29-10-5-19-37-29)31(34)26-13-11-25(12-14-26)24-7-2-1-3-8-24/h1-20H,21-22H2