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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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