N-(1-adamantyl)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-(3-bromophenyl)sulfonylpiperazin-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(=CC=C5)Br

Isomeric SMILES

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

InChI

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