[3-[[ethanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[ethanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[acetyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[acetyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [3-[[acetyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[acetyl(isopropyl)amino]methyl]phenyl] ester Formula: C18H20FNO4S MolecularWeight: 365.419103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FNO4S/c1-13(2)20(14(3)21)12-15-5-4-6-17(11-15)24-25(22,23)18-9-7-16(19)8-10-18/h4-11,13H,12H2,1-3H3