2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-(4-methylsulfonyl-1-piperazin-1-iumyl)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-(4-mesylpiperazin-1-ium-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

InChI

InChI=1S/C19H27N3O5S/c1-28(24,25)22-11-9-21(10-12-22)14-18(23)20-15-5-6-16-17(13-15)27-19(26-16)7-3-2-4-8-19/h5-6,13H,2-4,7-12,14H2,1H3,(H,20,23)/p+1