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

Systemtic Name: [3-[[furan-2-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ester Formula: C25H22FNO7S2 MolecularWeight: 531.573083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)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(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C25H22FNO7S2/c1-32-21-9-13-24(14-10-21)35(28,29)27(18-23-6-3-15-33-23)17-19-4-2-5-22(16-19)34-36(30,31)25-11-7-20(26)8-12-25/h2-16H,17-18H2,1H3