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

Systemtic Name: N-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H34N3O4S+ MolecularWeight: 448.59876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33N3O4S/c1-30-20-2-4-21(5-3-20)31(28,29)26-8-6-25(7-9-26)16-22(27)24-23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,17-19H,6-16H2,1H3,(H,24,27)/p+1