4-[[[4-(triphenylmethyl)sulfanyl-2-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]pyrrolidin-1-yl]sulfonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(triphenylmethyl)sulfanyl-2-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]pyrrolidin-1-yl]sulfonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(2,4,5-trifluorophenyl)methoxymethyl]-4-tritylsulfanyl-pyrrolidin-1-yl]sulfonylamino]methyl]benzoic acid CAS Name: 4-[[[2-[(2,4,5-trifluorophenyl)methoxymethyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinyl]sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(2,4,5-trifluorophenyl)methoxymethyl]-4-tritylsulfanylpyrrolidin-1-yl]sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[[2-[(2,4,5-trifluorobenzyl)oxymethyl]-4-(tritylthio)pyrrolidino]sulfonylamino]methyl]benzoic acid Formula: C39H35F3N2O5S2 MolecularWeight: 732.83081

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COCC2=CC(=C(C=C2F)F)F)S(=O)(=O)NCC3=CC=C(C=C3)C(=O)O)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C(CN(C1COCC2=CC(=C(C=C2F)F)F)S(=O)(=O)NCC3=CC=C(C=C3)C(=O)O)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H35F3N2O5S2/c40-35-22-37(42)36(41)20-29(35)25-49-26-33-21-34(24-44(33)51(47,48)43-23-27-16-18-28(19-17-27)38(45)46)50-39(30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32/h1-20,22,33-34,43H,21,23-26H2,(H,45,46)