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

Systemtic Name: [3-[[dodecanoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[dodecanoyl(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl(1-oxododecyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[dodecanoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-furfuryl(lauroyl)amino]methyl]phenyl] ester Formula: C25H37NO5S MolecularWeight: 463.62998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO5S/c1-3-4-5-6-7-8-9-10-11-17-25(27)26(21-24-16-13-18-30-24)20-22-14-12-15-23(19-22)31-32(2,28)29/h12-16,18-19H,3-11,17,20-21H2,1-2H3