N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-indan-5-yl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-indan-5-yl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C21H27N4O3S2+ MolecularWeight: 447.59408

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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(CCC4)C=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H26N4O3S2/c1-24-9-11-25(12-10-24)30(27,28)19-7-8-21(22-14-19)29-15-20(26)23-18-6-5-16-3-2-4-17(16)13-18/h5-8,13-14H,2-4,9-12,15H2,1H3,(H,23,26)/p+1