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

Systemtic Name: [3-[[1,3-benzodioxol-5-ylcarbonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[1,3-benzodioxole-5-carbonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(piperonyloyl)amino]methyl]phenyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)C2=CC3=C(C=C2)OCO3

InChI

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