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

Systemtic Name: 3-nitro-N-[5-(phenylsulfonylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(besylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C16H12N4O5S2 MolecularWeight: 404.42028

Click to see the large picture

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-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O5S2/c21-15(11-5-4-6-12(9-11)20(22)23)17-16-19-18-14(26-16)10-27(24,25)13-7-2-1-3-8-13/h1-9H,10H2,(H,17,19,21)