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

Systemtic Name: [3-[[cyclopropyl(furan-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclopropyl(furan-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[cyclopropyl-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopropyl(furan-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclopropyl(2-furoyl)amino]methyl]phenyl] ester Formula: C21H18FNO5S MolecularWeight: 415.434723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4

Isomeric SMILES

C1CC1N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H18FNO5S/c22-16-6-10-19(11-7-16)29(25,26)28-18-4-1-3-15(13-18)14-23(17-8-9-17)21(24)20-5-2-12-27-20/h1-7,10-13,17H,8-9,14H2