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

Systemtic Name: [3-[[furan-2-ylmethyl(heptanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl(heptanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl(1-oxoheptyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(heptanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[enanthyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C25H28FNO5S MolecularWeight: 473.556923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28FNO5S/c1-2-3-4-5-11-25(28)27(19-23-10-7-16-31-23)18-20-8-6-9-22(17-20)32-33(29,30)24-14-12-21(26)13-15-24/h6-10,12-17H,2-5,11,18-19H2,1H3