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

Systemtic Name: [3-[[cyclopropylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclopropanecarbonyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[cyclopropyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopropanecarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclopropanecarbonyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H20FNO5S MolecularWeight: 429.461303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

C1CC1C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C22H20FNO5S/c23-18-8-10-21(11-9-18)30(26,27)29-19-4-1-3-16(13-19)14-24(22(25)17-6-7-17)15-20-5-2-12-28-20/h1-5,8-13,17H,6-7,14-15H2