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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

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