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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

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