N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-nitro-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C

InChI

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