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

Systemtic Name: [5-[[1,3-benzodioxol-5-ylcarbonyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[1,3-benzodioxole-5-carbonyl(isobutyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[1,3-benzodioxole-5-carbonyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl(piperonyloyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7S/c1-14(2)11-22(21(23)16-6-8-18-19(10-16)28-13-27-18)12-15-5-7-17(26-3)20(9-15)29-30(4,24)25/h5-10,14H,11-13H2,1-4H3