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

Systemtic Name: [3-[[furan-2-ylmethyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl(pelargonyl)amino]methyl]phenyl] ester Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO5S/c1-3-5-6-7-8-9-15-23(25)24(19-22-14-11-16-28-22)18-20-12-10-13-21(17-20)29-30(26,27)4-2/h10-14,16-17H,3-9,15,18-19H2,1-2H3