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

Systemtic Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzenesulfonamide CAS Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzenesulfonamide Formula: C13H16N4O4S2 MolecularWeight: 356.42054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S2/c1-13(2,3)8-11-14-15-12(22-11)16-23(20,21)10-6-4-9(5-7-10)17(18)19/h4-7H,8H2,1-3H3,(H,15,16)