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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33N3O3S/c1-17-2-4-21(5-3-17)30(28,29)26-8-6-25(7-9-26)16-22(27)24-23-13-18-10-19(14-23)12-20(11-18)15-23/h2-5,18-20H,6-16H2,1H3,(H,24,27)/p+1