[4-[[cyclobutylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[cyclobutylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[cyclobutanecarbonyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[cyclobutyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclobutanecarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[cyclobutanecarbonyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C19H23NO5S MolecularWeight: 377.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCC3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCC3

InChI

InChI=1S/C19H23NO5S/c1-2-26(22,23)25-17-10-8-15(9-11-17)13-20(14-18-7-4-12-24-18)19(21)16-5-3-6-16/h4,7-12,16H,2-3,5-6,13-14H2,1H3