3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Systemtic Name: 3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide Openeye Name: 3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide CAS Name: 3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide IUPAC Name: 3-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzenesulfonamide Formula: C13H16N4O4S2 MolecularWeight: 356.42054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S2/c1-2-3-4-8-12-14-15-13(22-12)16-23(20,21)11-7-5-6-10(9-11)17(18)19/h5-7,9H,2-4,8H2,1H3,(H,15,16)