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

Systemtic Name: N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(4-mesylbenzyl)-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6S/c1-28(25,26)14-7-5-11(6-8-14)9-15-19-20-17(27-15)18-16(22)12-3-2-4-13(10-12)21(23)24/h2-8,10H,9H2,1H3,(H,18,20,22)