[5-[[(3-fluorophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(3-fluorophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(3-fluorobenzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(3-fluorophenyl)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-fluorobenzoyl)-(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(3-fluorobenzoyl)-(tetrahydrofurfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H26FNO6S MolecularWeight: 451.508343

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)C3=CC(=CC=C3)F)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)C3=CC(=CC=C3)F)OC

InChI

InChI=1S/C22H26FNO6S/c1-3-31(26,27)30-21-12-16(9-10-20(21)28-2)14-24(15-19-8-5-11-29-19)22(25)17-6-4-7-18(23)13-17/h4,6-7,9-10,12-13,19H,3,5,8,11,14-15H2,1-2H3