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

Systemtic Name: 7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-1-(2,3,4-trimethoxyphenyl)sulfanyl-heptan-2-ol Openeye Name: 7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-1-(2,3,4-trimethoxyphenyl)sulfanyl-heptan-2-ol CAS Name: 7,7-bis(4-fluorophenyl)-3-(1-piperazinyl)-1-[(2,3,4-trimethoxyphenyl)thio]-2-heptanol IUPAC Name: 7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-1-(2,3,4-trimethoxyphenyl)sulfanylheptan-2-ol Traditional Name: 7,7-bis(4-fluorophenyl)-3-piperazino-1-[(2,3,4-trimethoxyphenyl)thio]heptan-2-ol Formula: C32H40F2N2O4S MolecularWeight: 586.732806

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H40F2N2O4S/c1-38-29-15-16-30(32(40-3)31(29)39-2)41-21-28(37)27(36-19-17-35-18-20-36)6-4-5-26(22-7-11-24(33)12-8-22)23-9-13-25(34)14-10-23/h7-16,26-28,35,37H,4-6,17-21H2,1-3H3