N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide CAS Name: N-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=C(C(=N1)C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H16N4O4S/c1-4-16-10(3)13(9(2)14-16)15-22(20,21)12-7-5-6-11(8-12)17(18)19/h5-8,15H,4H2,1-3H3