[3-[[2,2-dimethylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2,2-dimethylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2,2-dimethylpropanoyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(2,2-dimethyl-1-oxopropyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2,2-dimethylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl(pivaloyl)amino]methyl]phenyl] ester Formula: C23H24FNO5S MolecularWeight: 445.503763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

Isomeric SMILES

CC(C)(C)C(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

InChI

InChI=1S/C23H24FNO5S/c1-23(2,3)22(26)25(16-20-8-5-13-29-20)15-17-6-4-7-19(14-17)30-31(27,28)21-11-9-18(24)10-12-21/h4-14H,15-16H2,1-3H3