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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

Isomeric SMILES

COC1=CC=CC=C1SCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

InChI

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