4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 4-nitro-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 4-nitro-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C18H22N6O5S MolecularWeight: 434.46948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O5S/c25-17(15-3-5-16(6-4-15)24(26)27)19-9-2-14-30(28,29)23-12-10-22(11-13-23)18-20-7-1-8-21-18/h1,3-8H,2,9-14H2,(H,19,25)