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

Systemtic Name: [4-chloranyl-2-[[ethanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[acetyl(tetrahydrofuran-2-ylmethyl)amino]methyl]-4-chloro-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[acetyl(2-oxolanylmethyl)amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-4-chlorophenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[acetyl(tetrahydrofurfuryl)amino]methyl]-4-chloro-phenyl] ester Formula: C20H21ClFNO5S MolecularWeight: 441.900843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1CCCO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N(CC1CCCO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21ClFNO5S/c1-14(24)23(13-18-3-2-10-27-18)12-15-11-16(21)4-9-20(15)28-29(25,26)19-7-5-17(22)6-8-19/h4-9,11,18H,2-3,10,12-13H2,1H3