[3-[[furan-2-ylmethyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[benzylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[benzylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[benzylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-29(25,26)28-19-10-5-9-18(13-19)15-23(16-20-11-6-12-27-20)21(24)22-14-17-7-3-2-4-8-17/h2-13H,14-16H2,1H3,(H,22,24)