3-nitro-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzamide

Systemtic Name: 3-nitro-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzamide Openeye Name: 3-nitro-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzamide CAS Name: 3-nitro-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]benzamide IUPAC Name: 3-nitro-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzamide Traditional Name: N-[3-(3-ketopiperazino)sulfonylphenyl]-3-nitro-benzamide Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S/c22-16-11-20(8-7-18-16)28(26,27)15-6-2-4-13(10-15)19-17(23)12-3-1-5-14(9-12)21(24)25/h1-6,9-10H,7-8,11H2,(H,18,22)(H,19,23)