N-(1-adamantyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1-adamantyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(1-adamantyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(1-adamantyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(1-adamantyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(1-adamantyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N3O3S/c1-24-5-7-25(8-6-24)29(27,28)20-4-2-3-19(12-20)21(26)23-22-13-16-9-17(14-22)11-18(10-16)15-22/h2-4,12,16-18H,5-11,13-15H2,1H3,(H,23,26)/p+1