[3-[[1,3-benzodioxol-5-ylcarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[1,3-benzodioxol-5-ylcarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[1,3-benzodioxole-5-carbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[1,3-benzodioxole-5-carbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(piperonyloyl)amino]methyl]phenyl] ester Formula: C24H22FNO7S MolecularWeight: 487.497383

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H22FNO7S/c1-30-12-11-26(24(27)18-5-10-22-23(14-18)32-16-31-22)15-17-3-2-4-20(13-17)33-34(28,29)21-8-6-19(25)7-9-21/h2-10,13-14H,11-12,15-16H2,1H3