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

Systemtic Name: 7,7-bis(4-fluorophenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-3-piperazin-1-yl-heptan-2-ol Openeye Name: 7,7-bis(4-fluorophenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-3-piperazin-1-yl-heptan-2-ol CAS Name: 7,7-bis(4-fluorophenyl)-1-[(4-methoxyphenyl)methylthio]-3-(1-piperazinyl)-2-heptanol IUPAC Name: 7,7-bis(4-fluorophenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-3-piperazin-1-ylheptan-2-ol Traditional Name: 7,7-bis(4-fluorophenyl)-1-(p-anisylthio)-3-piperazino-heptan-2-ol Formula: C31H38F2N2O2S MolecularWeight: 540.707426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38F2N2O2S/c1-37-28-15-5-23(6-16-28)21-38-22-31(36)30(35-19-17-34-18-20-35)4-2-3-29(24-7-11-26(32)12-8-24)25-9-13-27(33)14-10-25/h5-16,29-31,34,36H,2-4,17-22H2,1H3