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

Systemtic Name: [3-[[(2-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2-fluorobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2-fluorophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2-fluorobenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3F

InChI

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