1-[2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]acetyl]isonipecotic acid Formula: C18H26N4O5S2 MolecularWeight: 442.55284

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H26N4O5S2/c1-20-8-10-22(11-9-20)29(26,27)15-2-3-16(19-12-15)28-13-17(23)21-6-4-14(5-7-21)18(24)25/h2-3,12,14H,4-11,13H2,1H3,(H,24,25)