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

Systemtic Name: [3-[[1,3-benzodioxol-5-ylcarbonyl(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[1,3-benzodioxole-5-carbonyl(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[1,3-benzodioxole-5-carbonyl(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-methoxyethyl(piperonyloyl)amino]methyl]phenyl] ester Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO7S/c1-24-9-8-20(12-14-4-3-5-16(10-14)27-28(2,22)23)19(21)15-6-7-17-18(11-15)26-13-25-17/h3-7,10-11H,8-9,12-13H2,1-2H3