[3-[[2,2-diphenylethanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2,2-diphenylethanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2,2-diphenylacetyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-(1-oxo-2,2-diphenylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,2-diphenylacetyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2,2-diphenylacetyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C30H28FNO5S MolecularWeight: 533.610423

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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)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H28FNO5S/c1-36-20-19-32(30(33)29(24-10-4-2-5-11-24)25-12-6-3-7-13-25)22-23-9-8-14-27(21-23)37-38(34,35)28-17-15-26(31)16-18-28/h2-18,21,29H,19-20,22H2,1H3