1-(2-adamantyl)-4-[3,4-bis(fluoranyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(2-adamantyl)-4-[3,4-bis(fluoranyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(2-adamantyl)-4-(3,4-difluorophenyl)sulfonyl-piperazine CAS Name: 1-(2-adamantyl)-4-(3,4-difluorophenyl)sulfonylpiperazine IUPAC Name: 1-(2-adamantyl)-4-(3,4-difluorophenyl)sulfonylpiperazine Traditional Name: 1-(2-adamantyl)-4-(3,4-difluorophenyl)sulfonyl-piperazine Formula: C20H26F2N2O2S MolecularWeight: 396.494446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC(=C(C=C5)F)F

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C20H26F2N2O2S/c21-18-2-1-17(12-19(18)22)27(25,26)24-5-3-23(4-6-24)20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,12-16,20H,3-11H2