[4-chloranyl-2-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-methoxyethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[isobutyryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C20H23ClFNO5S MolecularWeight: 443.916723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClFNO5S/c1-14(2)20(24)23(10-11-27-3)13-15-12-16(21)4-9-19(15)28-29(25,26)18-7-5-17(22)6-8-18/h4-9,12,14H,10-11,13H2,1-3H3