N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzenesulfonamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzenesulfonamide Formula: C12H14N4O4S2 MolecularWeight: 342.39396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4S2/c1-8(2)7-11-13-14-12(21-11)15-22(19,20)10-5-3-9(4-6-10)16(17)18/h3-6,8H,7H2,1-2H3,(H,14,15)