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

Systemtic Name: [3-[[(3-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3-bromobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(3-bromophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-bromobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(3-bromobenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H20BrNO5S MolecularWeight: 478.3562

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)C3=CC(=CC=C3)Br

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H20BrNO5S/c1-2-29(25,26)28-19-9-3-6-16(12-19)14-23(15-20-10-5-11-27-20)21(24)17-7-4-8-18(22)13-17/h3-13H,2,14-15H2,1H3