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

Systemtic Name: [2-[[butan-2-yl(ethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[acetyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[acetyl(butan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [2-[[acetyl(butan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[acetyl(sec-butyl)amino]methyl]phenyl] ester Formula: C19H22FNO4S MolecularWeight: 379.445683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C

InChI

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