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

Systemtic Name: [3-[[furan-2-ylmethyl(hexanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-furylmethyl(hexanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(hexanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[caproyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5S/c1-3-4-5-11-19(21)20(15-18-10-7-12-24-18)14-16-8-6-9-17(13-16)25-26(2,22)23/h6-10,12-13H,3-5,11,14-15H2,1-2H3