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

Systemtic Name: [5-[[1,3-benzodioxol-5-ylcarbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[1,3-benzodioxole-5-carbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[1,3-benzodioxole-5-carbonyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl(piperonyloyl)amino]methyl]phenyl] ester Formula: C20H23NO8S MolecularWeight: 437.46352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO8S/c1-25-9-8-21(20(22)15-5-7-17-18(11-15)28-13-27-17)12-14-4-6-16(26-2)19(10-14)29-30(3,23)24/h4-7,10-11H,8-9,12-13H2,1-3H3