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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FNO5S/c1-2-3-9-23(26)25(17-21-8-5-14-29-21)16-18-6-4-7-20(15-18)30-31(27,28)22-12-10-19(24)11-13-22/h4-8,10-15H,2-3,9,16-17H2,1H3