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

Systemtic Name: [5-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-(3-methyl-1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-furfuryl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6S/c1-14(2)10-19(21)20(13-16-6-5-9-25-16)12-15-7-8-17(24-3)18(11-15)26-27(4,22)23/h5-9,11,14H,10,12-13H2,1-4H3