[3-[[furan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl(2-thenoyl)amino]methyl]phenyl] ester Formula: C23H18FNO5S2 MolecularWeight: 471.521123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CN(CC3=CC=CO3)C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CN(CC3=CC=CO3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H18FNO5S2/c24-18-8-10-21(11-9-18)32(27,28)30-19-5-1-4-17(14-19)15-25(16-20-6-2-12-29-20)23(26)22-7-3-13-31-22/h1-14H,15-16H2