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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FNO5S/c1-17(2)14-23(26)25(16-21-4-3-13-29-21)15-18-5-9-20(10-6-18)30-31(27,28)22-11-7-19(24)8-12-22/h3-13,17H,14-16H2,1-2H3