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

Systemtic Name: methyl 5-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(O3)C(=O)OC

InChI

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