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

Systemtic Name: 1-[(3,4-dichlorophenyl)methylsulfanyl]-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol Openeye Name: 1-[(3,4-dichlorophenyl)methylsulfanyl]-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol CAS Name: 1-[(3,4-dichlorophenyl)methylthio]-7,7-bis(4-fluorophenyl)-3-(1-piperazinyl)-2-heptanol IUPAC Name: 1-[(3,4-dichlorophenyl)methylsulfanyl]-7,7-bis(4-fluorophenyl)-3-piperazin-1-ylheptan-2-ol Traditional Name: 1-[(3,4-dichlorobenzyl)thio]-7,7-bis(4-fluorophenyl)-3-piperazino-heptan-2-ol Formula: C30H34Cl2F2N2OS MolecularWeight: 579.571566

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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)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)Cl)O

InChI

InChI=1S/C30H34Cl2F2N2OS/c31-27-13-4-21(18-28(27)32)19-38-20-30(37)29(36-16-14-35-15-17-36)3-1-2-26(22-5-9-24(33)10-6-22)23-7-11-25(34)12-8-23/h4-13,18,26,29-30,35,37H,1-3,14-17,19-20H2