1-[(4-chlorophenyl)methylsulfanyl]-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol

Systemtic Name: 1-[(4-chlorophenyl)methylsulfanyl]-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol Openeye Name: 1-[(4-chlorophenyl)methylsulfanyl]-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol CAS Name: 1-[(4-chlorophenyl)methylthio]-7,7-bis(4-fluorophenyl)-3-(1-piperazinyl)-2-heptanol IUPAC Name: 1-[(4-chlorophenyl)methylsulfanyl]-7,7-bis(4-fluorophenyl)-3-piperazin-1-ylheptan-2-ol Traditional Name: 1-[(4-chlorobenzyl)thio]-7,7-bis(4-fluorophenyl)-3-piperazino-heptan-2-ol Formula: C30H35ClF2N2OS MolecularWeight: 545.126506

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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(CSCC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CN(CCN1)C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(CSCC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C30H35ClF2N2OS/c31-25-10-4-22(5-11-25)20-37-21-30(36)29(35-18-16-34-17-19-35)3-1-2-28(23-6-12-26(32)13-7-23)24-8-14-27(33)15-9-24/h4-15,28-30,34,36H,1-3,16-21H2