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

Systemtic Name: [3-[[cyclohexylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclohexanecarbonyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[cyclohexyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclohexanecarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclohexanecarbonyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3CCCCC3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3CCCCC3

InChI

InChI=1S/C21H27NO5S/c1-2-28(24,25)27-19-11-6-8-17(14-19)15-22(16-20-12-7-13-26-20)21(23)18-9-4-3-5-10-18/h6-8,11-14,18H,2-5,9-10,15-16H2,1H3