[4-[[(4-fluorophenyl)methyl-thiophen-2-ylcarbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)methyl-thiophen-2-ylcarbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorophenyl)methyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorobenzyl)-(2-thenoyl)amino]methyl]phenyl] ester Formula: C25H19F2NO4S2 MolecularWeight: 499.549466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CSC(=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H19F2NO4S2/c26-20-7-3-18(4-8-20)16-28(25(29)24-2-1-15-33-24)17-19-5-11-22(12-6-19)32-34(30,31)23-13-9-21(27)10-14-23/h1-15H,16-17H2