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

Systemtic Name: [5-[[1,3-benzodioxol-5-ylcarbonyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[1,3-benzodioxole-5-carbonyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(piperonyloyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S/c1-5-31(25,26)30-21-10-16(6-8-18(21)27-4)13-23(12-15(2)3)22(24)17-7-9-19-20(11-17)29-14-28-19/h6-11,15H,5,12-14H2,1-4H3