[4-[[(3-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(3-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(3-fluorobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(3-fluorophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(3-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=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

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