1-(1-adamantyl)-4-[2,5-bis(chloranyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(1-adamantyl)-4-[2,5-bis(chloranyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(1-adamantyl)-4-(2,5-dichlorophenyl)sulfonyl-piperazine CAS Name: 1-(1-adamantyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine IUPAC Name: 1-(1-adamantyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine Traditional Name: 1-(1-adamantyl)-4-(2,5-dichlorophenyl)sulfonyl-piperazine Formula: C20H26Cl2N2O2S MolecularWeight: 429.40364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=C(C=CC(=C5)Cl)Cl

Isomeric SMILES

C1CN(CCN1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=C(C=CC(=C5)Cl)Cl

InChI

InChI=1S/C20H26Cl2N2O2S/c21-17-1-2-18(22)19(10-17)27(25,26)24-5-3-23(4-6-24)20-11-14-7-15(12-20)9-16(8-14)13-20/h1-2,10,14-16H,3-9,11-13H2