2-(1-adamantyl)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(3-chlorophenyl)sulfonylpiperazino]ethanone Formula: C22H29ClN2O3S MolecularWeight: 436.99526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H29ClN2O3S/c23-19-2-1-3-20(11-19)29(27,28)25-6-4-24(5-7-25)21(26)15-22-12-16-8-17(13-22)10-18(9-16)14-22/h1-3,11,16-18H,4-10,12-15H2