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[4-[[1,3-benzodioxol-5-ylcarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate
[4-[[1,3-benzodioxol-5-ylcarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate
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Canonical SMILES:
CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)C(=O)C2=CC3=C(C=C2)OCO3
Isomeric SMILES
CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)C(=O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C21H25NO6S/c1-4-29(24,25)28-18-8-5-16(6-9-18)13-22(12-15(2)3)21(23)17-7-10-19-20(11-17)27-14-26-19/h5-11,15H,4,12-14H2,1-3H3

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