N-(4-nitrophenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4-nitrophenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(4-nitrophenyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(4-nitrophenyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(4-nitrophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(4-nitrophenyl)benzamide Formula: C17H16N4O6S MolecularWeight: 404.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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