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

Systemtic Name: 2-methyl-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 2-methyl-3-nitro-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C19H24N6O5S MolecularWeight: 448.49606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H24N6O5S/c1-15-16(5-2-6-17(15)25(27)28)18(26)20-9-4-14-31(29,30)24-12-10-23(11-13-24)19-21-7-3-8-22-19/h2-3,5-8H,4,9-14H2,1H3,(H,20,26)