[4-[[(2,4-dichlorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(2,4-dichlorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2,4-dichlorobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2,4-dichlorophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,4-dichlorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(2,4-dichlorobenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C25H18Cl2FNO5S MolecularWeight: 534.383523

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=COC(=C1)CN(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H18Cl2FNO5S/c26-18-5-12-23(24(27)14-18)25(30)29(16-21-2-1-13-33-21)15-17-3-8-20(9-4-17)34-35(31,32)22-10-6-19(28)7-11-22/h1-14H,15-16H2