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

Systemtic Name: [3-[[furan-2-ylmethyl(octanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-furylmethyl(octanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(octanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[caprylyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5S/c1-3-4-5-6-7-13-21(23)22(17-20-12-9-14-26-20)16-18-10-8-11-19(15-18)27-28(2,24)25/h8-12,14-15H,3-7,13,16-17H2,1-2H3