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

Systemtic Name: [4-[[furan-2-ylmethyl(nonanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-furylmethyl(nonanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-furanylmethyl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl(nonanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-furfuryl(pelargonyl)amino]methyl]phenyl] ester Formula: C27H32FNO5S MolecularWeight: 501.610083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32FNO5S/c1-2-3-4-5-6-7-10-27(30)29(21-25-9-8-19-33-25)20-22-11-15-24(16-12-22)34-35(31,32)26-17-13-23(28)14-18-26/h8-9,11-19H,2-7,10,20-21H2,1H3