methyl 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]furan-3-carboxylic acid methyl ester Formula: C17H22N3O5S2+ MolecularWeight: 412.50368

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C(C=CO3)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C(C=CO3)C(=O)OC

InChI

InChI=1S/C17H21N3O5S2/c1-19-6-8-20(9-7-19)27(22,23)13-3-4-16(18-11-13)26-12-15-14(5-10-25-15)17(21)24-2/h3-5,10-11H,6-9,12H2,1-2H3/p+1