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

Systemtic Name: 4-methyl-3-nitro-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 4-methyl-3-nitro-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 4-methyl-3-nitro-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]benzamide Formula: C18H22N6O5S MolecularWeight: 434.46948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O5S/c1-14-3-4-15(13-16(14)24(26)27)17(25)19-7-12-30(28,29)23-10-8-22(9-11-23)18-20-5-2-6-21-18/h2-6,13H,7-12H2,1H3,(H,19,25)