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

Systemtic Name: [3-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[3,3-dimethylbutanoyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(3,3-dimethyl-1-oxobutyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[3,3-dimethylbutanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C24H26FNO5S MolecularWeight: 459.530343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26FNO5S/c1-24(2,3)15-23(27)26(17-21-8-5-13-30-21)16-18-6-4-7-20(14-18)31-32(28,29)22-11-9-19(25)10-12-22/h4-14H,15-17H2,1-3H3