[3-[[furan-2-ylmethyl(naphthalen-1-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(naphthalen-1-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-[1-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl(1-naphthoyl)amino]methyl]phenyl] ester Formula: C29H22FNO5S MolecularWeight: 515.552083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)N(CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)N(CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5

InChI

InChI=1S/C29H22FNO5S/c30-23-13-15-26(16-14-23)37(33,34)36-24-9-3-6-21(18-24)19-31(20-25-10-5-17-35-25)29(32)28-12-4-8-22-7-1-2-11-27(22)28/h1-18H,19-20H2