1-adamantyl-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C22H26ClF3N2O3S MolecularWeight: 490.96665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=C(C=CC(=C5)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=C(C=CC(=C5)C(F)(F)F)Cl

InChI

InChI=1S/C22H26ClF3N2O3S/c23-18-2-1-17(22(24,25)26)10-19(18)32(30,31)28-5-3-27(4-6-28)20(29)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13H2