4-[7,7-bis(4-fluorophenyl)-2-oxidanyl-3-piperazin-1-yl-heptyl]sulfanylphenol

Systemtic Name: 4-[7,7-bis(4-fluorophenyl)-2-oxidanyl-3-piperazin-1-yl-heptyl]sulfanylphenol Openeye Name: 4-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazin-1-yl-heptyl]sulfanylphenol CAS Name: 4-[[7,7-bis(4-fluorophenyl)-2-hydroxy-3-(1-piperazinyl)heptyl]thio]phenol IUPAC Name: 4-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazin-1-ylheptyl]sulfanylphenol Traditional Name: 4-[[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazino-heptyl]thio]phenol Formula: C29H34F2N2O2S MolecularWeight: 512.654266

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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=C(C=C4)O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H34F2N2O2S/c30-23-8-4-21(5-9-23)27(22-6-10-24(31)11-7-22)2-1-3-28(33-18-16-32-17-19-33)29(35)20-36-26-14-12-25(34)13-15-26/h4-15,27-29,32,34-35H,1-3,16-20H2