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

Systemtic Name: 4-methyl-3-nitro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[3-[4-(2-pyridyl)piperazin-1-yl]sulfonylpropyl]benzamide CAS Name: 4-methyl-3-nitro-N-[3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 4-methyl-3-nitro-N-[3-[4-(2-pyridyl)piperazino]sulfonylpropyl]benzamide Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O5S/c1-16-6-7-17(15-18(16)25(27)28)20(26)22-9-4-14-31(29,30)24-12-10-23(11-13-24)19-5-2-3-8-21-19/h2-3,5-8,15H,4,9-14H2,1H3,(H,22,26)