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

Systemtic Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide Openeye Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-[(1,5-dimethyl-4-pyrazolyl)methyl]-N-methyl-4-nitrobenzenesulfonamide IUPAC Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S/c1-10-11(8-14-16(10)3)9-15(2)22(20,21)13-6-4-12(5-7-13)17(18)19/h4-8H,9H2,1-3H3