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

Systemtic Name: [3-[[furan-2-ylmethyl(hexanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl(hexanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(hexanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[caproyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H27NO5S MolecularWeight: 393.49708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5S/c1-3-5-6-12-20(22)21(16-19-11-8-13-25-19)15-17-9-7-10-18(14-17)26-27(23,24)4-2/h7-11,13-14H,3-6,12,15-16H2,1-2H3