2-methoxy-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 2-methoxy-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 2-methoxy-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 2-methoxy-5-nitro-N-[3-(1-pyrazolylmethyl)phenyl]benzenesulfonamide IUPAC Name: 2-methoxy-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 2-methoxy-5-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide Formula: C17H16N4O5S MolecularWeight: 388.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)CN3C=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)CN3C=CC=N3

InChI

InChI=1S/C17H16N4O5S/c1-26-16-7-6-15(21(22)23)11-17(16)27(24,25)19-14-5-2-4-13(10-14)12-20-9-3-8-18-20/h2-11,19H,12H2,1H3