[4-chloranyl-2-[[cyclopropyl(ethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[cyclopropyl(ethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[acetyl(cyclopropyl)amino]methyl]-4-chloro-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[acetyl(cyclopropyl)amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[acetyl(cyclopropyl)amino]methyl]-4-chlorophenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[acetyl(cyclopropyl)amino]methyl]-4-chloro-phenyl] ester Formula: C18H17ClFNO4S MolecularWeight: 397.848283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFNO4S/c1-12(22)21(16-5-6-16)11-13-10-14(19)2-9-18(13)25-26(23,24)17-7-3-15(20)4-8-17/h2-4,7-10,16H,5-6,11H2,1H3