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

Systemtic Name: [4-[[(4-phenylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[isopropyl-(4-phenylbenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[[oxo-(4-phenylphenyl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[isopropyl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C30H26F3NO4S MolecularWeight: 553.59195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=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

CC(C)N(CC1=CC=C(C=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/C30H26F3NO4S/c1-21(2)34(29(35)25-15-13-24(14-16-25)23-7-4-3-5-8-23)20-22-11-17-27(18-12-22)38-39(36,37)28-10-6-9-26(19-28)30(31,32)33/h3-19,21H,20H2,1-2H3