4-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 4-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 4-nitro-N-[3-(1-pyrazolylmethyl)phenyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 4-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3C=CC=N3

InChI

InChI=1S/C16H14N4O4S/c21-20(22)15-5-7-16(8-6-15)25(23,24)18-14-4-1-3-13(11-14)12-19-10-2-9-17-19/h1-11,18H,12H2