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

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

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