N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[5-(3-mesylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Formula: C16H11N5O8S MolecularWeight: 433.35224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O8S/c1-30(27,28)13-4-2-3-9(7-13)15-18-19-16(29-15)17-14(22)10-5-11(20(23)24)8-12(6-10)21(25)26/h2-8H,1H3,(H,17,19,22)