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

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-nitro-benzenesulfonamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-nitro-benzenesulfonamide Formula: C22H18N4O4S MolecularWeight: 434.46772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4S/c27-26(28)20-11-13-21(14-12-20)31(29,30)23-15-18-16-25(19-9-5-2-6-10-19)24-22(18)17-7-3-1-4-8-17/h1-14,16,23H,15H2