N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C20H24ClN4O5S2+ MolecularWeight: 500.01136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3Cl)OCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3Cl)OCCO4

InChI

InChI=1S/C20H23ClN4O5S2/c1-24-4-6-25(7-5-24)32(27,28)14-2-3-20(22-12-14)31-13-19(26)23-16-11-18-17(10-15(16)21)29-8-9-30-18/h2-3,10-12H,4-9,13H2,1H3,(H,23,26)/p+1