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

Systemtic Name: [2-[[(3-fluorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [2-[[(3-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[[(3-fluorophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[(3-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[(3-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C19H22FNO5S MolecularWeight: 395.445083

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC=C1CN(CCOC)C(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC=C1CN(CCOC)C(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C19H22FNO5S/c1-3-27(23,24)26-18-10-5-4-7-16(18)14-21(11-12-25-2)19(22)15-8-6-9-17(20)13-15/h4-10,13H,3,11-12,14H2,1-2H3