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

Systemtic Name: 7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-1-[(2,3,4-trimethoxyphenyl)methylsulfanyl]heptan-2-ol Openeye Name: 7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-1-[(2,3,4-trimethoxyphenyl)methylsulfanyl]heptan-2-ol CAS Name: 7,7-bis(4-fluorophenyl)-3-(1-piperazinyl)-1-[(2,3,4-trimethoxyphenyl)methylthio]-2-heptanol IUPAC Name: 7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-1-[(2,3,4-trimethoxyphenyl)methylsulfanyl]heptan-2-ol Traditional Name: 7,7-bis(4-fluorophenyl)-3-piperazino-1-[(2,3,4-trimethoxybenzyl)thio]heptan-2-ol Formula: C33H42F2N2O4S MolecularWeight: 600.759386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H42F2N2O4S/c1-39-31-16-11-25(32(40-2)33(31)41-3)21-42-22-30(38)29(37-19-17-36-18-20-37)6-4-5-28(23-7-12-26(34)13-8-23)24-9-14-27(35)15-10-24/h7-16,28-30,36,38H,4-6,17-22H2,1-3H3