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

Systemtic Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Openeye Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide CAS Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide IUPAC Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Traditional Name: N-(5-neopentyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3O2S2/c1-13(2,3)9-11-14-15-12(19-11)16-20(17,18)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,16)