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

Systemtic Name: 3-nitro-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 3-nitro-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 3-nitro-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 3-nitro-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]benzamide Formula: C17H20N6O5S MolecularWeight: 420.4429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O5S/c24-16(14-3-1-4-15(13-14)23(25)26)18-7-12-29(27,28)22-10-8-21(9-11-22)17-19-5-2-6-20-17/h1-6,13H,7-12H2,(H,18,24)