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

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[3-[4-(2-pyridyl)piperazin-1-yl]sulfonylpropyl]benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-[3-[4-(2-pyridyl)piperazino]sulfonylpropyl]benzamide Formula: C21H27N5O7S MolecularWeight: 493.53338

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=CC=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O7S/c1-32-18-14-16(17(26(28)29)15-19(18)33-2)21(27)23-8-5-13-34(30,31)25-11-9-24(10-12-25)20-6-3-4-7-22-20/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,23,27)