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

Systemtic Name: [3-[[2-methoxyethyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[2-methoxyethyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C30H26F3NO5S MolecularWeight: 569.59135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26F3NO5S/c1-38-18-17-34(29(35)25-15-13-24(14-16-25)23-8-3-2-4-9-23)21-22-7-5-11-27(19-22)39-40(36,37)28-12-6-10-26(20-28)30(31,32)33/h2-16,19-20H,17-18,21H2,1H3