[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylsulfanyl-propan-2-yl] ethanoate

Systemtic Name: [1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylsulfanyl-propan-2-yl] ethanoate Openeye Name: [2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-methyl-2-(4-pyridylsulfanyl)ethyl] acetate CAS Name: acetic acid [1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-1-(pyridin-4-ylthio)propan-2-yl] ester IUPAC Name: [1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylsulfanylpropan-2-yl] acetate Traditional Name: acetic acid [2-[4-[bis(4-fluorophenyl)methyl]piperazino]-1-methyl-2-(4-pyridylthio)ethyl] ester Formula: C27H29F2N3O2S MolecularWeight: 497.599866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)SC4=CC=NC=C4)OC(=O)C

Isomeric SMILES

CC(C(N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)SC4=CC=NC=C4)OC(=O)C

InChI

InChI=1S/C27H29F2N3O2S/c1-19(34-20(2)33)27(35-25-11-13-30-14-12-25)32-17-15-31(16-18-32)26(21-3-7-23(28)8-4-21)22-5-9-24(29)10-6-22/h3-14,19,26-27H,15-18H2,1-2H3