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

Systemtic Name: [4-[[1,3-benzodioxol-5-ylcarbonyl(butan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[1,3-benzodioxole-5-carbonyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[1,3-benzodioxol-5-yl(oxo)methyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[1,3-benzodioxole-5-carbonyl(butan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[piperonyloyl(sec-butyl)amino]methyl]phenyl] ester Formula: C25H24FNO6S MolecularWeight: 485.524563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24FNO6S/c1-3-17(2)27(25(28)19-6-13-23-24(14-19)32-16-31-23)15-18-4-9-21(10-5-18)33-34(29,30)22-11-7-20(26)8-12-22/h4-14,17H,3,15-16H2,1-2H3