N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-nitro-benzenesulfonamide Openeye Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-nitro-benzenesulfonamide CAS Name: N-[(1,5-dimethyl-3-pyrazolyl)methyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-nitrobenzenesulfonamide Traditional Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-nitro-benzenesulfonamide Formula: C12H14N4O4S MolecularWeight: 310.32896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C)CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4S/c1-9-6-10(14-15(9)2)8-13-21(19,20)12-5-3-4-11(7-12)16(17)18/h3-7,13H,8H2,1-2H3