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

Systemtic Name: [3-[[cyclopropyl(ethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[acetyl(cyclopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[acetyl(cyclopropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[acetyl(cyclopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[acetyl(cyclopropyl)amino]methyl]phenyl] ester Formula: C18H18FNO4S MolecularWeight: 363.403223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3CC3

Isomeric SMILES

CC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3CC3

InChI

InChI=1S/C18H18FNO4S/c1-13(21)20(16-7-8-16)12-14-3-2-4-17(11-14)24-25(22,23)18-9-5-15(19)6-10-18/h2-6,9-11,16H,7-8,12H2,1H3