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

Systemtic Name: [4-[[1,3-benzodioxol-5-ylcarbonyl(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[1,3-benzodioxole-5-carbonyl(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[1,3-benzodioxole-5-carbonyl(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-methoxypropyl(piperonyloyl)amino]methyl]phenyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H23NO7S/c1-25-11-3-10-21(13-15-4-7-17(8-5-15)28-29(2,23)24)20(22)16-6-9-18-19(12-16)27-14-26-18/h4-9,12H,3,10-11,13-14H2,1-2H3