N-(1-adamantyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-(4-besylpiperazin-1-ium-1-yl)acetamide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H31N3O3S/c26-21(23-22-13-17-10-18(14-22)12-19(11-17)15-22)16-24-6-8-25(9-7-24)29(27,28)20-4-2-1-3-5-20/h1-5,17-19H,6-16H2,(H,23,26)/p+1