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

Systemtic Name: [2-[[2-dimethylaminoethyl(ethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[acetyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[acetyl(2-dimethylaminoethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[acetyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[acetyl(2-dimethylaminoethyl)amino]methyl]phenyl] ester Formula: C19H23FN2O4S MolecularWeight: 394.460323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN2O4S/c1-15(23)22(13-12-21(2)3)14-16-6-4-5-7-19(16)26-27(24,25)18-10-8-17(20)9-11-18/h4-11H,12-14H2,1-3H3