4,5-dimethoxy-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C20H26N6O7S MolecularWeight: 494.52144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H26N6O7S/c1-32-17-13-15(16(26(28)29)14-18(17)33-2)19(27)21-7-4-12-34(30,31)25-10-8-24(9-11-25)20-22-5-3-6-23-20/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,21,27)