5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]furan-2-carboxamide

Systemtic Name: 5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]furan-2-carboxamide Openeye Name: 5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]furan-2-carboxamide CAS Name: 5-nitro-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]-2-furancarboxamide IUPAC Name: 5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]furan-2-carboxamide Traditional Name: 5-nitro-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]-2-furamide Formula: C16H20N6O6S MolecularWeight: 424.4316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O6S/c23-15(13-3-4-14(28-13)22(24)25)17-7-2-12-29(26,27)21-10-8-20(9-11-21)16-18-5-1-6-19-16/h1,3-6H,2,7-12H2,(H,17,23)