[3-[[2-methoxyethyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methoxyethyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-(1-oxo-2-thiophen-2-ylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ester Formula: C22H22FNO5S2 MolecularWeight: 463.542183

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3=CC=CS3

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3=CC=CS3

InChI

InChI=1S/C22H22FNO5S2/c1-28-12-11-24(22(25)15-20-6-3-13-30-20)16-17-4-2-5-19(14-17)29-31(26,27)21-9-7-18(23)8-10-21/h2-10,13-14H,11-12,15-16H2,1H3