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

Systemtic Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone Openeye Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S/c26-20(14-21-10-16-9-17(11-21)13-22(27,12-16)15-21)23-5-7-24(8-6-23)32(30,31)19-4-2-1-3-18(19)25(28)29/h1-4,16-17,27H,5-15H2