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

Systemtic Name: 2-(1-adamantyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C22H29N3O5S MolecularWeight: 447.54776

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[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O5S/c26-21(15-22-12-16-9-17(13-22)11-18(10-16)14-22)23-5-7-24(8-6-23)31(29,30)20-4-2-1-3-19(20)25(27)28/h1-4,16-18H,5-15H2