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

Systemtic Name: [5-[[(3-fluorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(3-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(3-fluorophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(3-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H24FNO6S MolecularWeight: 425.471063

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CCOC)C(=O)C2=CC(=CC=C2)F)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CCOC)C(=O)C2=CC(=CC=C2)F)OC

InChI

InChI=1S/C20H24FNO6S/c1-4-29(24,25)28-19-12-15(8-9-18(19)27-3)14-22(10-11-26-2)20(23)16-6-5-7-17(21)13-16/h5-9,12-13H,4,10-11,14H2,1-3H3