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

Systemtic Name: [5-[[1,3-benzodioxol-5-ylcarbonyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[1,3-benzodioxole-5-carbonyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[1,3-benzodioxol-5-yl(oxo)methyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[1,3-benzodioxole-5-carbonyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isopropyl(piperonyloyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7S/c1-5-30(24,25)29-20-10-15(6-8-17(20)26-4)12-22(14(2)3)21(23)16-7-9-18-19(11-16)28-13-27-18/h6-11,14H,5,12-13H2,1-4H3