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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC3=C(C=C2)OCO3

InChI

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