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

Systemtic Name: 7,7-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfanyl-3-piperazin-1-yl-heptan-2-ol Openeye Name: 7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-1-(p-tolylsulfanyl)heptan-2-ol CAS Name: 7,7-bis(4-fluorophenyl)-1-[(4-methylphenyl)thio]-3-(1-piperazinyl)-2-heptanol IUPAC Name: 7,7-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfanyl-3-piperazin-1-ylheptan-2-ol Traditional Name: 7,7-bis(4-fluorophenyl)-3-piperazino-1-(p-tolylthio)heptan-2-ol Formula: C30H36F2N2OS MolecularWeight: 510.681446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

InChI

InChI=1S/C30H36F2N2OS/c1-22-5-15-27(16-6-22)36-21-30(35)29(34-19-17-33-18-20-34)4-2-3-28(23-7-11-25(31)12-8-23)24-9-13-26(32)14-10-24/h5-16,28-30,33,35H,2-4,17-21H2,1H3