3,5-dinitro-N-[5-(phenylsulfonylmethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,5-dinitro-N-[5-(phenylsulfonylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[5-(besylmethyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Formula: C16H11N5O7S2 MolecularWeight: 449.41784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O7S2/c22-15(10-6-11(20(23)24)8-12(7-10)21(25)26)17-16-19-18-14(29-16)9-30(27,28)13-4-2-1-3-5-13/h1-8H,9H2,(H,17,19,22)