[4-[[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-acetamidophenyl)sulfonyl-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C26H23FN2O7S2 MolecularWeight: 558.598423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C26H23FN2O7S2/c1-19(30)28-22-8-14-25(15-9-22)37(31,32)29(18-24-3-2-16-35-24)17-20-4-10-23(11-5-20)36-38(33,34)26-12-6-21(27)7-13-26/h2-16H,17-18H2,1H3,(H,28,30)