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

Systemtic Name: [4-[[2,2-diphenylethanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2,2-diphenylacetyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl-(1-oxo-2,2-diphenylethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,2-diphenylacetyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(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=C(C=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=C(C=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/c1-36-21-20-32(30(33)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25)22-23-12-16-27(17-13-23)37-38(34,35)28-18-14-26(31)15-19-28/h2-19,29H,20-22H2,1H3