N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(2-ethyl-3-pyrazolyl)methyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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