7,7-bis(4-fluorophenyl)-1-naphthalen-1-ylsulfanyl-3-piperazin-1-yl-heptan-2-ol

Systemtic Name: 7,7-bis(4-fluorophenyl)-1-naphthalen-1-ylsulfanyl-3-piperazin-1-yl-heptan-2-ol Openeye Name: 7,7-bis(4-fluorophenyl)-1-(1-naphthylsulfanyl)-3-piperazin-1-yl-heptan-2-ol CAS Name: 7,7-bis(4-fluorophenyl)-1-(1-naphthalenylthio)-3-(1-piperazinyl)-2-heptanol IUPAC Name: 7,7-bis(4-fluorophenyl)-1-naphthalen-1-ylsulfanyl-3-piperazin-1-ylheptan-2-ol Traditional Name: 7,7-bis(4-fluorophenyl)-1-(1-naphthylthio)-3-piperazino-heptan-2-ol Formula: C33H36F2N2OS MolecularWeight: 546.713546

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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=CC5=CC=CC=C54)O

Isomeric SMILES

C1CN(CCN1)C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(CSC4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C33H36F2N2OS/c34-27-15-11-25(12-16-27)29(26-13-17-28(35)18-14-26)8-4-9-31(37-21-19-36-20-22-37)32(38)23-39-33-10-3-6-24-5-1-2-7-30(24)33/h1-3,5-7,10-18,29,31-32,36,38H,4,8-9,19-23H2