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

Systemtic Name: [3-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-furylmethyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-furfuryl(isovaleryl)amino]methyl]phenyl] ester Formula: C18H23NO5S MolecularWeight: 365.44392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5S/c1-14(2)10-18(20)19(13-17-8-5-9-23-17)12-15-6-4-7-16(11-15)24-25(3,21)22/h4-9,11,14H,10,12-13H2,1-3H3