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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methylsulfanyl]-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol Openeye Name: 1-[(2,3-dimethoxyphenyl)methylsulfanyl]-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol CAS Name: 1-[(2,3-dimethoxyphenyl)methylthio]-7,7-bis(4-fluorophenyl)-3-(1-piperazinyl)-2-heptanol IUPAC Name: 1-[(2,3-dimethoxyphenyl)methylsulfanyl]-7,7-bis(4-fluorophenyl)-3-piperazin-1-ylheptan-2-ol Traditional Name: 7,7-bis(4-fluorophenyl)-1-(o-veratrylthio)-3-piperazino-heptan-2-ol Formula: C32H40F2N2O3S MolecularWeight: 570.733406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CSCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CSCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

InChI

InChI=1S/C32H40F2N2O3S/c1-38-31-8-3-5-25(32(31)39-2)21-40-22-30(37)29(36-19-17-35-18-20-36)7-4-6-28(23-9-13-26(33)14-10-23)24-11-15-27(34)16-12-24/h3,5,8-16,28-30,35,37H,4,6-7,17-22H2,1-2H3