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

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfanyl-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol Openeye Name: 1-(3,4-dimethoxyphenyl)sulfanyl-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol CAS Name: 1-[(3,4-dimethoxyphenyl)thio]-7,7-bis(4-fluorophenyl)-3-(1-piperazinyl)-2-heptanol IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfanyl-7,7-bis(4-fluorophenyl)-3-piperazin-1-ylheptan-2-ol Traditional Name: 1-[(3,4-dimethoxyphenyl)thio]-7,7-bis(4-fluorophenyl)-3-piperazino-heptan-2-ol Formula: C31H38F2N2O3S MolecularWeight: 556.706826

Click to see the large picture

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

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

InChI

InChI=1S/C31H38F2N2O3S/c1-37-30-15-14-26(20-31(30)38-2)39-21-29(36)28(35-18-16-34-17-19-35)5-3-4-27(22-6-10-24(32)11-7-22)23-8-12-25(33)13-9-23/h6-15,20,27-29,34,36H,3-5,16-19,21H2,1-2H3