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

Systemtic Name: [5-[[furan-2-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-(4-methoxyphenyl)sulfonylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl-(4-methoxyphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C26H24FNO8S2 MolecularWeight: 561.599063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C26H24FNO8S2/c1-33-21-8-12-23(13-9-21)37(29,30)28(18-22-4-3-15-35-22)17-19-5-14-25(34-2)26(16-19)36-38(31,32)24-10-6-20(27)7-11-24/h3-16H,17-18H2,1-2H3