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

Systemtic Name: [3-[[furan-2-ylmethyl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl-(2-methylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-[(2-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(2-methylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl(o-toluoyl)amino]methyl]phenyl] ester Formula: C26H22FNO5S MolecularWeight: 479.519983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C26H22FNO5S/c1-19-6-2-3-10-25(19)26(29)28(18-23-9-5-15-32-23)17-20-7-4-8-22(16-20)33-34(30,31)24-13-11-21(27)12-14-24/h2-16H,17-18H2,1H3