4-[7,7-bis(4-fluorophenyl)-2-oxidanyl-3-piperazin-1-yl-heptyl]sulfanyl-2,6-ditert-butyl-phenol

Systemtic Name: 4-[7,7-bis(4-fluorophenyl)-2-oxidanyl-3-piperazin-1-yl-heptyl]sulfanyl-2,6-ditert-butyl-phenol Openeye Name: 4-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazin-1-yl-heptyl]sulfanyl-2,6-ditert-butyl-phenol CAS Name: 4-[[7,7-bis(4-fluorophenyl)-2-hydroxy-3-(1-piperazinyl)heptyl]thio]-2,6-ditert-butylphenol IUPAC Name: 4-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazin-1-ylheptyl]sulfanyl-2,6-ditert-butylphenol Traditional Name: 4-[[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazino-heptyl]thio]-2,6-ditert-butyl-phenol Formula: C37H50F2N2O2S MolecularWeight: 624.866906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

InChI

InChI=1S/C37H50F2N2O2S/c1-36(2,3)31-22-29(23-32(35(31)43)37(4,5)6)44-24-34(42)33(41-20-18-40-19-21-41)9-7-8-30(25-10-14-27(38)15-11-25)26-12-16-28(39)17-13-26/h10-17,22-23,30,33-34,40,42-43H,7-9,18-21,24H2,1-6H3