[5-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[3,3-dimethylbutanoyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[(3,3-dimethyl-1-oxobutyl)-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[3,3-dimethylbutanoyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H27NO6S MolecularWeight: 409.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)CC2=CC=CO2

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)CC2=CC=CO2

InChI

InChI=1S/C20H27NO6S/c1-20(2,3)12-19(22)21(14-16-7-6-10-26-16)13-15-8-9-17(25-4)18(11-15)27-28(5,23)24/h6-11H,12-14H2,1-5H3