4-nitro-N-[1-(phenylmethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-nitro-N-[1-(phenylmethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: N-(1-benzylpyrazol-3-yl)-4-nitro-benzenesulfonamide CAS Name: 4-nitro-N-[1-(phenylmethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: N-(1-benzylpyrazol-3-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(1-benzylpyrazol-3-yl)-4-nitro-benzenesulfonamide Formula: C16H14N4O4S MolecularWeight: 358.37176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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