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

Systemtic Name: [3-[[propanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl(propanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[1-oxopropyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [3-[[propanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl(propionyl)amino]methyl]phenyl] ester Formula: C19H22FNO4S MolecularWeight: 379.445683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FNO4S/c1-4-19(22)21(14(2)3)13-15-6-5-7-17(12-15)25-26(23,24)18-10-8-16(20)9-11-18/h5-12,14H,4,13H2,1-3H3