[4-[[1,3-benzodioxol-5-ylcarbonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[1,3-benzodioxol-5-ylcarbonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[1,3-benzodioxole-5-carbonyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[1,3-benzodioxole-5-carbonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[piperonyloyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23NO7S/c1-30(24,25)29-17-7-4-15(5-8-17)12-22(13-18-3-2-10-26-18)21(23)16-6-9-19-20(11-16)28-14-27-19/h4-9,11,18H,2-3,10,12-14H2,1H3