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

Systemtic Name: 7,7-bis(4-fluorophenyl)-1-(3-methoxyphenyl)sulfanyl-3-piperazin-1-yl-heptan-2-ol Openeye Name: 7,7-bis(4-fluorophenyl)-1-(3-methoxyphenyl)sulfanyl-3-piperazin-1-yl-heptan-2-ol CAS Name: 7,7-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)thio]-3-(1-piperazinyl)-2-heptanol IUPAC Name: 7,7-bis(4-fluorophenyl)-1-(3-methoxyphenyl)sulfanyl-3-piperazin-1-ylheptan-2-ol Traditional Name: 7,7-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)thio]-3-piperazino-heptan-2-ol Formula: C30H36F2N2O2S MolecularWeight: 526.680846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

Isomeric SMILES

COC1=CC(=CC=C1)SCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

InChI

InChI=1S/C30H36F2N2O2S/c1-36-26-4-2-5-27(20-26)37-21-30(35)29(34-18-16-33-17-19-34)7-3-6-28(22-8-12-24(31)13-9-22)23-10-14-25(32)15-11-23/h2,4-5,8-15,20,28-30,33,35H,3,6-7,16-19,21H2,1H3