[4-[[1,3-benzodioxol-5-ylcarbonyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[1,3-benzodioxol-5-ylcarbonyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[1,3-benzodioxole-5-carbonyl(isopentyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[1,3-benzodioxole-5-carbonyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(piperonyloyl)amino]methyl]phenyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H25NO6S/c1-15(2)10-11-22(13-16-4-7-18(8-5-16)28-29(3,24)25)21(23)17-6-9-19-20(12-17)27-14-26-19/h4-9,12,15H,10-11,13-14H2,1-3H3