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

Systemtic Name: [3-[[3-cyclopentylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[3-cyclopentylpropanoyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(3-cyclopentyl-1-oxopropyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3-cyclopentylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[3-cyclopentylpropanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C26H28FNO5S MolecularWeight: 485.567623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

C1CCC(C1)CCC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C26H28FNO5S/c27-22-11-13-25(14-12-22)34(30,31)33-23-8-3-7-21(17-23)18-28(19-24-9-4-16-32-24)26(29)15-10-20-5-1-2-6-20/h3-4,7-9,11-14,16-17,20H,1-2,5-6,10,15,18-19H2