N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-nitro-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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