1-[7,7-bis(4-fluorophenyl)-2-phenylmethoxy-1-phenylsulfanyl-heptan-3-yl]piperazine

Systemtic Name: 1-[7,7-bis(4-fluorophenyl)-2-phenylmethoxy-1-phenylsulfanyl-heptan-3-yl]piperazine Openeye Name: 1-[1-(1-benzyloxy-2-phenylsulfanyl-ethyl)-5,5-bis(4-fluorophenyl)pentyl]piperazine CAS Name: 1-[7,7-bis(4-fluorophenyl)-2-phenylmethoxy-1-(phenylthio)heptan-3-yl]piperazine IUPAC Name: 1-[7,7-bis(4-fluorophenyl)-2-phenylmethoxy-1-phenylsulfanylheptan-3-yl]piperazine Traditional Name: 1-[1-[1-benzoxy-2-(phenylthio)ethyl]-5,5-bis(4-fluorophenyl)pentyl]piperazine Formula: C36H40F2N2OS MolecularWeight: 586.777406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(CSC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(CSC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C36H40F2N2OS/c37-31-18-14-29(15-19-31)34(30-16-20-32(38)21-17-30)12-7-13-35(40-24-22-39-23-25-40)36(27-42-33-10-5-2-6-11-33)41-26-28-8-3-1-4-9-28/h1-6,8-11,14-21,34-36,39H,7,12-13,22-27H2