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

Systemtic Name: [3-[[butanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[butanoyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl(1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[butyryl(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H22FNO5S MolecularWeight: 431.477183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO5S/c1-2-5-22(25)24(16-20-8-4-13-28-20)15-17-6-3-7-19(14-17)29-30(26,27)21-11-9-18(23)10-12-21/h3-4,6-14H,2,5,15-16H2,1H3