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

Systemtic Name: [5-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-(2-methyl-1-oxopropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-furfuryl(isobutyryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6S/c1-13(2)18(20)19(12-15-6-5-9-24-15)11-14-7-8-16(23-3)17(10-14)25-26(4,21)22/h5-10,13H,11-12H2,1-4H3