[2-[3,5-bis(phenylmethoxy)phenyl]-2-[(2-nitrophenyl)sulfonylamino]propyl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [2-[3,5-bis(phenylmethoxy)phenyl]-2-[(2-nitrophenyl)sulfonylamino]propyl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [2-(3,5-dibenzyloxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]propyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [2-[3,5-bis(phenylmethoxy)phenyl]-2-[(2-nitrophenyl)sulfonylamino]propyl] ester IUPAC Name: [2-[3,5-bis(phenylmethoxy)phenyl]-2-[(2-nitrophenyl)sulfonylamino]propyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [2-(3,5-dibenzoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]propyl] ester Formula: C39H35F3N2O9S MolecularWeight: 764.76341

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC)(C2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC(COC(=O)[C@@](C1=CC=CC=C1)(C(F)(F)F)OC)(C2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C39H35F3N2O9S/c1-37(43-54(48,49)35-21-13-12-20-34(35)44(46)47,27-53-36(45)38(50-2,39(40,41)42)30-18-10-5-11-19-30)31-22-32(51-25-28-14-6-3-7-15-28)24-33(23-31)52-26-29-16-8-4-9-17-29/h3-24,43H,25-27H2,1-2H3/t37?,38-/m0/s1