N-oxidanyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylnon-3-yn-2-yl]methanamide

Systemtic Name: N-oxidanyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylnon-3-yn-2-yl]methanamide Openeye Name: N-hydroxy-N-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylmethyl]oct-2-ynyl]formamide CAS Name: N-hydroxy-N-[1-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]non-3-yn-2-yl]formamide IUPAC Name: N-hydroxy-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylnon-3-yn-2-yl]formamide Traditional Name: N-hydroxy-N-[1-[[4-(2-pyrimidyl)piperazino]sulfonylmethyl]oct-2-ynyl]formamide Formula: C18H27N5O4S MolecularWeight: 409.50308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(CS(=O)(=O)N1CCN(CC1)C2=NC=CC=N2)N(C=O)O

Isomeric SMILES

CCCCCC#CC(CS(=O)(=O)N1CCN(CC1)C2=NC=CC=N2)N(C=O)O

InChI

InChI=1S/C18H27N5O4S/c1-2-3-4-5-6-8-17(23(25)16-24)15-28(26,27)22-13-11-21(12-14-22)18-19-9-7-10-20-18/h7,9-10,16-17,25H,2-5,11-15H2,1H3