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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)N(CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)N(CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5

InChI

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