[3-[[2-methoxyethyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methoxyethyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C29H26FNO5S MolecularWeight: 519.583843

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26FNO5S/c1-35-19-18-31(29(32)25-12-10-24(11-13-25)23-7-3-2-4-8-23)21-22-6-5-9-27(20-22)36-37(33,34)28-16-14-26(30)15-17-28/h2-17,20H,18-19,21H2,1H3