N-(1-adamantyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1-adamantyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-adamantyl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C23H34N3O3S+ MolecularWeight: 432.59936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H33N3O3S/c27-22(24-23-13-19-10-20(14-23)12-21(11-19)15-23)16-25-6-8-26(9-7-25)30(28,29)17-18-4-2-1-3-5-18/h1-5,19-21H,6-17H2,(H,24,27)/p+1