[5-[[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl(p-tolylsulfonyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-(4-methylphenyl)sulfonylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl(tosyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H24FNO7S2 MolecularWeight: 545.599663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C26H24FNO7S2/c1-19-5-10-23(11-6-19)36(29,30)28(18-22-4-3-15-34-22)17-20-7-14-25(33-2)26(16-20)35-37(31,32)24-12-8-21(27)9-13-24/h3-16H,17-18H2,1-2H3