2,3-dimethyl-N-(1-methylpyrazol-4-yl)-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-(1-methyl-4-pyrazolyl)-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-(1-methylpyrazol-4-yl)-5-nitro-benzenesulfonamide Formula: C12H14N4O4S MolecularWeight: 310.32896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CN(N=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CN(N=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4S/c1-8-4-11(16(17)18)5-12(9(8)2)21(19,20)14-10-6-13-15(3)7-10/h4-7,14H,1-3H3