[5-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H27FN2O8S2 MolecularWeight: 566.618883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H27FN2O8S2/c1-18(29)27-21-7-11-22(12-8-21)37(30,31)28(14-15-34-2)17-19-4-13-24(35-3)25(16-19)36-38(32,33)23-9-5-20(26)6-10-23/h4-13,16H,14-15,17H2,1-3H3,(H,27,29)