ethyl 2-[7,7-bis(4-fluorophenyl)-1-phenylsulfanyl-3-piperazin-1-yl-heptan-2-yl]oxyethanoate

Systemtic Name: ethyl 2-[7,7-bis(4-fluorophenyl)-1-phenylsulfanyl-3-piperazin-1-yl-heptan-2-yl]oxyethanoate Openeye Name: ethyl 2-[6,6-bis(4-fluorophenyl)-1-(phenylsulfanylmethyl)-2-piperazin-1-yl-hexoxy]acetate CAS Name: 2-[7,7-bis(4-fluorophenyl)-1-(phenylthio)-3-(1-piperazinyl)heptan-2-yl]oxyacetic acid ethyl ester IUPAC Name: ethyl 2-[7,7-bis(4-fluorophenyl)-1-phenylsulfanyl-3-piperazin-1-ylheptan-2-yl]oxyacetate Traditional Name: 2-[6,6-bis(4-fluorophenyl)-1-[(phenylthio)methyl]-2-piperazino-hexoxy]acetic acid ethyl ester Formula: C33H40F2N2O3S MolecularWeight: 582.744106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC(CSC1=CC=CC=C1)C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4

Isomeric SMILES

CCOC(=O)COC(CSC1=CC=CC=C1)C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4

InChI

InChI=1S/C33H40F2N2O3S/c1-2-39-33(38)23-40-32(24-41-29-7-4-3-5-8-29)31(37-21-19-36-20-22-37)10-6-9-30(25-11-15-27(34)16-12-25)26-13-17-28(35)18-14-26/h3-5,7-8,11-18,30-32,36H,2,6,9-10,19-24H2,1H3