[3-[[cyclobutylcarbonyl(cyclopropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[cyclobutylcarbonyl(cyclopropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[cyclobutyl(oxo)methyl]-cyclopropylamino]methyl]phenyl] ester IUPAC Name: [3-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C4CC4

Isomeric SMILES

C1CC(C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C4CC4

InChI

InChI=1S/C21H22FNO4S/c22-17-7-11-20(12-8-17)28(25,26)27-19-6-1-3-15(13-19)14-23(18-9-10-18)21(24)16-4-2-5-16/h1,3,6-8,11-13,16,18H,2,4-5,9-10,14H2