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

Systemtic Name: [4-[[cyclohexylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[cyclohexylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(cyclohexylamino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclohexylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[cyclohexylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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)NC3CCCCC3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H28N2O5S/c1-2-29(25,26)28-19-12-10-17(11-13-19)15-23(16-20-9-6-14-27-20)21(24)22-18-7-4-3-5-8-18/h6,9-14,18H,2-5,7-8,15-16H2,1H3,(H,22,24)