N-[(1-ethylpyrazol-4-yl)methyl]-3-nitro-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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