[2-[[(4-fluorophenyl)methyl-(furan-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-[[(4-fluorophenyl)methyl-(furan-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [2-[[(4-fluorophenyl)methyl-(furan-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[(4-fluorophenyl)methyl-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-[[(4-fluorophenyl)methyl-(furan-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[(4-fluorobenzyl)-(2-furoyl)amino]methyl]phenyl] ester Formula: C21H20FNO5S MolecularWeight: 417.450603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC=C1CN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CO3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC=C1CN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CO3

InChI

InChI=1S/C21H20FNO5S/c1-2-29(25,26)28-19-7-4-3-6-17(19)15-23(21(24)20-8-5-13-27-20)14-16-9-11-18(22)12-10-16/h3-13H,2,14-15H2,1H3