[3-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C24H25FN2O7S2 MolecularWeight: 536.592903

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H25FN2O7S2/c1-18(28)26-21-8-12-23(13-9-21)35(29,30)27(14-15-33-2)17-19-4-3-5-22(16-19)34-36(31,32)24-10-6-20(25)7-11-24/h3-13,16H,14-15,17H2,1-2H3,(H,26,28)