[3-[[decanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[decanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[decanoyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl(1-oxodecyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[decanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[capryl(2-furfuryl)amino]methyl]phenyl] ester Formula: C24H35NO5S MolecularWeight: 449.6034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO5S/c1-3-5-6-7-8-9-10-16-24(26)25(20-23-15-12-17-29-23)19-21-13-11-14-22(18-21)30-31(27,28)4-2/h11-15,17-18H,3-10,16,19-20H2,1-2H3