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

Systemtic Name: N-(1-adamantyl)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-(4-brosylpiperazin-1-ium-1-yl)acetamide Formula: C22H31BrN3O3S+ MolecularWeight: 497.46884

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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=C(C=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrN3O3S/c23-19-1-3-20(4-2-19)30(28,29)26-7-5-25(6-8-26)15-21(27)24-22-12-16-9-17(13-22)11-18(10-16)14-22/h1-4,16-18H,5-15H2,(H,24,27)/p+1