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

Systemtic Name: [4-[[(4-fluorophenyl)methyl-thiophen-2-ylcarbonyl-amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-(thiophene-2-carbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[(4-fluorobenzyl)-(2-thenoyl)amino]methyl]phenyl] ester Formula: C26H22FNO5S2 MolecularWeight: 511.584983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN(CC3=CC=C(C=C3)F)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN(CC3=CC=C(C=C3)F)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H22FNO5S2/c1-32-22-12-14-24(15-13-22)35(30,31)33-23-10-6-20(7-11-23)18-28(26(29)25-3-2-16-34-25)17-19-4-8-21(27)9-5-19/h2-16H,17-18H2,1H3