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

Systemtic Name: 1-(3,4-dichlorophenyl)sulfanyl-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol Openeye Name: 1-(3,4-dichlorophenyl)sulfanyl-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol CAS Name: 1-[(3,4-dichlorophenyl)thio]-7,7-bis(4-fluorophenyl)-3-(1-piperazinyl)-2-heptanol IUPAC Name: 1-(3,4-dichlorophenyl)sulfanyl-7,7-bis(4-fluorophenyl)-3-piperazin-1-ylheptan-2-ol Traditional Name: 1-[(3,4-dichlorophenyl)thio]-7,7-bis(4-fluorophenyl)-3-piperazino-heptan-2-ol Formula: C29H32Cl2F2N2OS MolecularWeight: 565.544986

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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)Cl)Cl)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)Cl)Cl)O

InChI

InChI=1S/C29H32Cl2F2N2OS/c30-26-13-12-24(18-27(26)31)37-19-29(36)28(35-16-14-34-15-17-35)3-1-2-25(20-4-8-22(32)9-5-20)21-6-10-23(33)11-7-21/h4-13,18,25,28-29,34,36H,1-3,14-17,19H2