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

Systemtic Name: 7,7-bis(4-fluorophenyl)-1-[(4-methylphenyl)methylsulfanyl]-3-piperazin-1-yl-heptan-2-ol Openeye Name: 7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-1-(p-tolylmethylsulfanyl)heptan-2-ol CAS Name: 7,7-bis(4-fluorophenyl)-1-[(4-methylphenyl)methylthio]-3-(1-piperazinyl)-2-heptanol IUPAC Name: 7,7-bis(4-fluorophenyl)-1-[(4-methylphenyl)methylsulfanyl]-3-piperazin-1-ylheptan-2-ol Traditional Name: 7,7-bis(4-fluorophenyl)-1-[(4-methylbenzyl)thio]-3-piperazino-heptan-2-ol Formula: C31H38F2N2OS MolecularWeight: 524.708026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

InChI

InChI=1S/C31H38F2N2OS/c1-23-5-7-24(8-6-23)21-37-22-31(36)30(35-19-17-34-18-20-35)4-2-3-29(25-9-13-27(32)14-10-25)26-11-15-28(33)16-12-26/h5-16,29-31,34,36H,2-4,17-22H2,1H3