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

Systemtic Name: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-(4-mesylphenyl)-1,3,4-oxadiazol-2-yl]-4-nitro-benzamide Formula: C16H12N4O6S MolecularWeight: 388.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O6S/c1-27(24,25)13-8-4-11(5-9-13)15-18-19-16(26-15)17-14(21)10-2-6-12(7-3-10)20(22)23/h2-9H,1H3,(H,17,19,21)